N-[4-[1,5-diphenyl-2-[4-(N-pyrimidin-5-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylpyrimidin-5-amine;N-[4-[1,5-diphenyl-2-[4-(N-quinolin-6-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylquinolin-6-amine;2-fluoro-N-[4-[2-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N,4,6-triphenylaniline;2,3,4,5,6-pentadeuterio-N-[4-[2-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)aniline

C258H180F2N22 — CID 159901976

IUPACN-[4-[1,5-diphenyl-2-[4-(N-pyrimidin-5-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylpyrimidin-5-amine;N-[4-[1,5-diphenyl-2-[4-(N-quinolin-6-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylquinolin-6-amine;2-fluoro-N-[4-[2-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N,4,6-triphenylaniline;2,3,4,5,6-pentadeuterio-N-[4-[2-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)aniline
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc(-c2cc3cc4c(cc(-c5ccc(N(c6ccccc6)c6c(F)cc(-c7ccccc7)cc6-c6ccccc6)cc5)n4-c4ccccc4)cc3n2-c2ccccc2)cc1.[2H]c1c([2H])c([2H])c(N(c2ccc(-c3cc4cc5c(cc(-c6ccc(N(c7c([2H])c([2H])c([2H])c([2H])c7[2H])c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc6)n5-c5ccccc5)cc4n3-c3ccccc3)cc2)c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].c1ccc(N(c2ccc(-c3cc4cc5c(cc(-c6ccc(N(c7ccccc7)c7ccc8ncccc8c7)cc6)n5-c5ccccc5)cc4n3-c3ccccc3)cc2)c2ccc3ncccc3c2)cc1.c1ccc(N(c2ccc(-c3cc4cc5c(cc(-c6ccc(N(c7ccccc7)c7cncnc7)cc6)n5-c5ccccc5)cc4n3-c3ccccc3)cc2)c2cncnc2)cc1
InChIInChI=1S/C82H56F2N4.C64H44N6.C58H42N4.C54H38N8/c83-75-51-63(57-25-9-1-10-26-57)49-73(59-29-13-3-14-30-59)81(75)85(67-33-17-5-18-34-67)71-45-41-61(42-46-71)77-53-65-55-80-66(56-79(65)87(77)69-37-21-7-22-38-69)54-78(88(80)70-39-23-8-24-40-70)62-43-47-72(48-44-62)86(68-35-19-6-20-36-68)82-74(60-31-15-4-16-32-60)50-64(52-76(82)84)58-27-11-2-12-28-58;1-5-17-51(18-6-1)67(57-33-35-59-47(39-57)15-13-37-65-59)55-29-25-45(26-30-55)61-41-49-43-64-50(44-63(49)69(61)53-21-9-3-10-22-53)42-62(70(64)54-23-11-4-12-24-54)46-27-31-56(32-28-46)68(52-19-7-2-8-20-52)58-34-36-60-48(40-58)16-14-38-66-60;1-7-19-47(20-8-1)59(48-21-9-2-10-22-48)53-35-31-43(32-36-53)55-39-45-41-58-46(42-57(45)61(55)51-27-15-5-16-28-51)40-56(62(58)52-29-17-6-18-30-52)44-33-37-54(38-34-44)60(49-23-11-3-12-24-49)50-25-13-4-14-26-50;1-5-13-43(14-6-1)59(49-33-55-37-56-34-49)47-25-21-39(22-26-47)51-29-41-31-54-42(32-53(41)61(51)45-17-9-3-10-18-45)30-52(62(54)46-19-11-4-12-20-46)40-23-27-48(28-24-40)60(44-15-7-2-8-16-44)50-35-57-38-58-36-50/h1-56H;1-44H;1-42H;1-38H/i;;1D,2D,3D,4D,7D,8D,9D,10D,11D,12D,13D,14D,19D,20D,21D,22D,23D,24D,25D,26D;
InChIKeyNWBROYKLTPLTAM-ZVESNZRYSA-N
MW3646.55 g/mol
LogP69.01
Rot. Bonds44

About N-[4-[1,5-diphenyl-2-[4-(N-pyrimidin-5-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylpyrimidin-5-amine;N-[4-[1,5-diphenyl-2-[4-(N-quinolin-6-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylquinolin-6-amine;2-fluoro-N-[4-[2-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N,4,6-triphenylaniline;2,3,4,5,6-pentadeuterio-N-[4-[2-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)aniline

N-[4-[1,5-diphenyl-2-[4-(N-pyrimidin-5-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylpyrimidin-5-amine;N-[4-[1,5-diphenyl-2-[4-(N-quinolin-6-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylquinolin-6-amine;2-fluoro-N-[4-[2-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N,4,6-triphenylaniline;2,3,4,5,6-pentadeuterio-N-[4-[2-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)aniline (PubChem CID 159901976) has the molecular formula C258H180F2N22 and a molecular weight of 3646.55 g/mol. Its IUPAC name is N-[4-[1,5-diphenyl-2-[4-(N-pyrimidin-5-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylpyrimidin-5-amine;N-[4-[1,5-diphenyl-2-[4-(N-quinolin-6-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylquinolin-6-amine;2-fluoro-N-[4-[2-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N,4,6-triphenylaniline;2,3,4,5,6-pentadeuterio-N-[4-[2-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)aniline.

Molecular Properties

Compound NameN-[4-[1,5-diphenyl-2-[4-(N-pyrimidin-5-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylpyrimidin-5-amine;N-[4-[1,5-diphenyl-2-[4-(N-quinolin-6-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylquinolin-6-amine;2-fluoro-N-[4-[2-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N,4,6-triphenylaniline;2,3,4,5,6-pentadeuterio-N-[4-[2-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)aniline
PubChem CID159901976
Molecular FormulaC258H180F2N22
Molecular Weight3646.55 g/mol
Exact Mass3643.60
IUPAC NameN-[4-[1,5-diphenyl-2-[4-(N-pyrimidin-5-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylpyrimidin-5-amine;N-[4-[1,5-diphenyl-2-[4-(N-quinolin-6-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylquinolin-6-amine;2-fluoro-N-[4-[2-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N,4,6-triphenylaniline;2,3,4,5,6-pentadeuterio-N-[4-[2-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)aniline
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc(-c2cc3cc4c(cc(-c5ccc(N(c6ccccc6)c6c(F)cc(-c7ccccc7)cc6-c6ccccc6)cc5)n4-c4ccccc4)cc3n2-c2ccccc2)cc1.[2H]c1c([2H])c([2H])c(N(c2ccc(-c3cc4cc5c(cc(-c6ccc(N(c7c([2H])c([2H])c([2H])c([2H])c7[2H])c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc6)n5-c5ccccc5)cc4n3-c3ccccc3)cc2)c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].c1ccc(N(c2ccc(-c3cc4cc5c(cc(-c6ccc(N(c7ccccc7)c7ccc8ncccc8c7)cc6)n5-c5ccccc5)cc4n3-c3ccccc3)cc2)c2ccc3ncccc3c2)cc1.c1ccc(N(c2ccc(-c3cc4cc5c(cc(-c6ccc(N(c7ccccc7)c7cncnc7)cc6)n5-c5ccccc5)cc4n3-c3ccccc3)cc2)c2cncnc2)cc1
InChIInChI=1S/C82H56F2N4.C64H44N6.C58H42N4.C54H38N8/c83-75-51-63(57-25-9-1-10-26-57)49-73(59-29-13-3-14-30-59)81(75)85(67-33-17-5-18-34-67)71-45-41-61(42-46-71)77-53-65-55-80-66(56-79(65)87(77)69-37-21-7-22-38-69)54-78(88(80)70-39-23-8-24-40-70)62-43-47-72(48-44-62)86(68-35-19-6-20-36-68)82-74(60-31-15-4-16-32-60)50-64(52-76(82)84)58-27-11-2-12-28-58;1-5-17-51(18-6-1)67(57-33-35-59-47(39-57)15-13-37-65-59)55-29-25-45(26-30-55)61-41-49-43-64-50(44-63(49)69(61)53-21-9-3-10-22-53)42-62(70(64)54-23-11-4-12-24-54)46-27-31-56(32-28-46)68(52-19-7-2-8-20-52)58-34-36-60-48(40-58)16-14-38-66-60;1-7-19-47(20-8-1)59(48-21-9-2-10-22-48)53-35-31-43(32-36-53)55-39-45-41-58-46(42-57(45)61(55)51-27-15-5-16-28-51)40-56(62(58)52-29-17-6-18-30-52)44-33-37-54(38-34-44)60(49-23-11-3-12-24-49)50-25-13-4-14-26-50;1-5-13-43(14-6-1)59(49-33-55-37-56-34-49)47-25-21-39(22-26-47)51-29-41-31-54-42(32-53(41)61(51)45-17-9-3-10-18-45)30-52(62(54)46-19-11-4-12-20-46)40-23-27-48(28-24-40)60(44-15-7-2-8-16-44)50-35-57-38-58-36-50/h1-56H;1-44H;1-42H;1-38H/i;;1D,2D,3D,4D,7D,8D,9D,10D,11D,12D,13D,14D,19D,20D,21D,22D,23D,24D,25D,26D;
InChIKeyNWBROYKLTPLTAM-ZVESNZRYSA-N
XLogP69.01
TPSA142.70 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds44
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003646.55
LogP ≤ 569.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze N-[4-[1,5-diphenyl-2-[4-(N-pyrimidin-5-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylpyrimidin-5-amine;N-[4-[1,5-diphenyl-2-[4-(N-quinolin-6-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylquinolin-6-amine;2-fluoro-N-[4-[2-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N,4,6-triphenylaniline;2,3,4,5,6-pentadeuterio-N-[4-[2-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)aniline with MolForge

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Related Compounds

2-fluoro-N-[4-[19-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaen-3-yl]phenyl]-N,4,6-triphenylaniline
CID 89115151
N-[2,4-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,5,6-pentadeuterio-N-[4-(7,12-diphenylnaphtho[3,2-h]quinolin-9-yl)phenyl]aniline;2-[4-(7,12-diphenylnaphtho[3,2-h]quinolin-9-yl)phenyl]-1,3-benzoxazole;N-[4-(7,12-diphenylnaphtho[3,2-h]quinolin-9-yl)phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-(7,12-diphenylnaphtho[3,2-h]quinolin-9-yl)phenyl]-N-phenylpyridin-2-amine;N-[4-(7,12-diphenylnaphtho[3,2-h]quinolin-9-yl)phenyl]-N,2,4-triphenylaniline;7,12-diphenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphtho[2,3-h]quinoline
CID 159747772
N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline
CID 144768904
N,N-diphenyl-4-(1-phenylindol-2-yl)aniline
CID 59993805
N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine
CID 121287921
9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine
CID 121287924
N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-2-yl]-N,9-diphenylcarbazol-3-amine
CID 59211188
2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline
CID 126628010
9-[4-(1,10-phenanthrolin-3-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130354202
4-N-[4-[2,6-bis(4-methylphenyl)-1-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]pyrrolo[2,3-f]indol-5-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;N-[4-[2,6-dinaphthalen-1-yl-1-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-[4-[2,6-dinaphthalen-2-yl-1-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;4-N-[4-[2,6-diphenyl-1-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]pyrrolo[2,3-f]indol-5-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 159649458
2,3,4,5,6-pentadeuterio-N,N-bis(4-phenylphenyl)aniline
CID 89183809
1-[4-(4-bromophenyl)phenyl]-N,N-diphenylindol-5-amine;1-[4-(4-bromophenyl)phenyl]-5-fluoroindole;1-[4-(4-bromophenyl)phenyl]indole;1-[4-(4-bromophenyl)phenyl]-2-phenylindole;1-[4-(4-bromophenyl)phenyl]-5-phenylindole;1-[4-(4-bromophenyl)phenyl]-5-pyridin-3-ylindole
CID 157121908

Frequently Asked Questions

What is the IUPAC name of N-[4-[1,5-diphenyl-2-[4-(N-pyrimidin-5-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylpyrimidin-5-amine;N-[4-[1,5-diphenyl-2-[4-(N-quinolin-6-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylquinolin-6-amine;2-fluoro-N-[4-[2-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N,4,6-triphenylaniline;2,3,4,5,6-pentadeuterio-N-[4-[2-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)aniline?
The IUPAC name of N-[4-[1,5-diphenyl-2-[4-(N-pyrimidin-5-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylpyrimidin-5-amine;N-[4-[1,5-diphenyl-2-[4-(N-quinolin-6-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylquinolin-6-amine;2-fluoro-N-[4-[2-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N,4,6-triphenylaniline;2,3,4,5,6-pentadeuterio-N-[4-[2-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)aniline (CID 159901976) is N-[4-[1,5-diphenyl-2-[4-(N-pyrimidin-5-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylpyrimidin-5-amine;N-[4-[1,5-diphenyl-2-[4-(N-quinolin-6-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylquinolin-6-amine;2-fluoro-N-[4-[2-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N,4,6-triphenylaniline;2,3,4,5,6-pentadeuterio-N-[4-[2-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)aniline.
What is the SMILES notation for N-[4-[1,5-diphenyl-2-[4-(N-pyrimidin-5-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylpyrimidin-5-amine;N-[4-[1,5-diphenyl-2-[4-(N-quinolin-6-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylquinolin-6-amine;2-fluoro-N-[4-[2-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N,4,6-triphenylaniline;2,3,4,5,6-pentadeuterio-N-[4-[2-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)aniline?
The canonical SMILES for N-[4-[1,5-diphenyl-2-[4-(N-pyrimidin-5-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylpyrimidin-5-amine;N-[4-[1,5-diphenyl-2-[4-(N-quinolin-6-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylquinolin-6-amine;2-fluoro-N-[4-[2-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N,4,6-triphenylaniline;2,3,4,5,6-pentadeuterio-N-[4-[2-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)aniline is Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc(-c2cc3cc4c(cc(-c5ccc(N(c6ccccc6)c6c(F)cc(-c7ccccc7)cc6-c6ccccc6)cc5)n4-c4ccccc4)cc3n2-c2ccccc2)cc1.[2H]c1c([2H])c([2H])c(N(c2ccc(-c3cc4cc5c(cc(-c6ccc(N(c7c([2H])c([2H])c([2H])c([2H])c7[2H])c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc6)n5-c5ccccc5)cc4n3-c3ccccc3)cc2)c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].c1ccc(N(c2ccc(-c3cc4cc5c(cc(-c6ccc(N(c7ccccc7)c7ccc8ncccc8c7)cc6)n5-c5ccccc5)cc4n3-c3ccccc3)cc2)c2ccc3ncccc3c2)cc1.c1ccc(N(c2ccc(-c3cc4cc5c(cc(-c6ccc(N(c7ccccc7)c7cncnc7)cc6)n5-c5ccccc5)cc4n3-c3ccccc3)cc2)c2cncnc2)cc1.
What is the InChIKey of N-[4-[1,5-diphenyl-2-[4-(N-pyrimidin-5-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylpyrimidin-5-amine;N-[4-[1,5-diphenyl-2-[4-(N-quinolin-6-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylquinolin-6-amine;2-fluoro-N-[4-[2-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N,4,6-triphenylaniline;2,3,4,5,6-pentadeuterio-N-[4-[2-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)aniline?
The InChIKey is NWBROYKLTPLTAM-ZVESNZRYSA-N. The full InChI is InChI=1S/C82H56F2N4.C64H44N6.C58H42N4.C54H38N8/c83-75-51-63(57-25-9-1-10-26-57)49-73(59-29-13-3-14-30-59)81(75)85(67-33-17-5-18-34-67)71-45-41-61(42-46-71)77-53-65-55-80-66(56-79(65)87(77)69-37-21-7-22-38-69)54-78(88(80)70-39-23-8-24-40-70)62-43-47-72(48-44-62)86(68-35-19-6-20-36-68)82-74(60-31-15-4-16-32-60)50-64(52-76(82)84)58-27-11-2-12-28-58;1-5-17-51(18-6-1)67(57-33-35-59-47(39-57)15-13-37-65-59)55-29-25-45(26-30-55)61-41-49-43-64-50(44-63(49)69(61)53-21-9-3-10-22-53)42-62(70(64)54-23-11-4-12-24-54)46-27-31-56(32-28-46)68(52-19-7-2-8-20-52)58-34-36-60-48(40-58)16-14-38-66-60;1-7-19-47(20-8-1)59(48-21-9-2-10-22-48)53-35-31-43(32-36-53)55-39-45-41-58-46(42-57(45)61(55)51-27-15-5-16-28-51)40-56(62(58)52-29-17-6-18-30-52)44-33-37-54(38-34-44)60(49-23-11-3-12-24-49)50-25-13-4-14-26-50;1-5-13-43(14-6-1)59(49-33-55-37-56-34-49)47-25-21-39(22-26-47)51-29-41-31-54-42(32-53(41)61(51)45-17-9-3-10-18-45)30-52(62(54)46-19-11-4-12-20-46)40-23-27-48(28-24-40)60(44-15-7-2-8-16-44)50-35-57-38-58-36-50/h1-56H;1-44H;1-42H;1-38H/i;;1D,2D,3D,4D,7D,8D,9D,10D,11D,12D,13D,14D,19D,20D,21D,22D,23D,24D,25D,26D;.
What are the key properties of N-[4-[1,5-diphenyl-2-[4-(N-pyrimidin-5-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylpyrimidin-5-amine;N-[4-[1,5-diphenyl-2-[4-(N-quinolin-6-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylquinolin-6-amine;2-fluoro-N-[4-[2-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N,4,6-triphenylaniline;2,3,4,5,6-pentadeuterio-N-[4-[2-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)aniline?
N-[4-[1,5-diphenyl-2-[4-(N-pyrimidin-5-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylpyrimidin-5-amine;N-[4-[1,5-diphenyl-2-[4-(N-quinolin-6-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylquinolin-6-amine;2-fluoro-N-[4-[2-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N,4,6-triphenylaniline;2,3,4,5,6-pentadeuterio-N-[4-[2-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)aniline has a molecular weight of 3646.55 g/mol, XLogP of 69.01, 44 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1,5-diphenyl-2-[4-(N-pyrimidin-5-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylpyrimidin-5-amine;N-[4-[1,5-diphenyl-2-[4-(N-quinolin-6-ylanilino)phenyl]pyrrolo[2,3-f]indol-6-yl]phenyl]-N-phenylquinolin-6-amine;2-fluoro-N-[4-[2-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N,4,6-triphenylaniline;2,3,4,5,6-pentadeuterio-N-[4-[2-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-1,5-diphenylpyrrolo[2,3-f]indol-6-yl]phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)aniline is sourced from PubChem (CID 159901976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).