N-[4-[7-[4-(N-dibenzofuran-1-ylanilino)phenyl]-2,3,5,6-tetramethylpyrrolo[3,2-f]indol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine

C62H46N4O2 — CID 155097115

IUPACN-[4-[7-[4-(N-dibenzofuran-1-ylanilino)phenyl]-2,3,5,6-tetramethylpyrrolo[3,2-f]indol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine
SMILESCc1c(C)n(-c2ccc(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc2)c2cc3c(cc12)c(C)c(C)n3-c1ccc(N(c2ccccc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C62H46N4O2/c1-39-41(3)63(45-29-33-47(34-30-45)65(43-17-7-5-8-18-43)54-24-16-28-60-61(54)51-22-12-14-27-59(51)67-60)56-38-57-53(37-52(39)56)40(2)42(4)64(57)46-31-35-48(36-32-46)66(44-19-9-6-10-20-44)55-25-15-23-50-49-21-11-13-26-58(49)68-62(50)55/h5-38H,1-4H3
InChIKeyONRPUHQPDGCBKV-UHFFFAOYSA-N
MW879.08 g/mol
LogP17.55
Rot. Bonds8

About N-[4-[7-[4-(N-dibenzofuran-1-ylanilino)phenyl]-2,3,5,6-tetramethylpyrrolo[3,2-f]indol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine

N-[4-[7-[4-(N-dibenzofuran-1-ylanilino)phenyl]-2,3,5,6-tetramethylpyrrolo[3,2-f]indol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine (PubChem CID 155097115) has the molecular formula C62H46N4O2 and a molecular weight of 879.08 g/mol. Its IUPAC name is N-[4-[7-[4-(N-dibenzofuran-1-ylanilino)phenyl]-2,3,5,6-tetramethylpyrrolo[3,2-f]indol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-[7-[4-(N-dibenzofuran-1-ylanilino)phenyl]-2,3,5,6-tetramethylpyrrolo[3,2-f]indol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine
PubChem CID155097115
Molecular FormulaC62H46N4O2
Molecular Weight879.08 g/mol
Exact Mass878.36
IUPAC NameN-[4-[7-[4-(N-dibenzofuran-1-ylanilino)phenyl]-2,3,5,6-tetramethylpyrrolo[3,2-f]indol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine
SMILESCc1c(C)n(-c2ccc(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc2)c2cc3c(cc12)c(C)c(C)n3-c1ccc(N(c2ccccc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C62H46N4O2/c1-39-41(3)63(45-29-33-47(34-30-45)65(43-17-7-5-8-18-43)54-24-16-28-60-61(54)51-22-12-14-27-59(51)67-60)56-38-57-53(37-52(39)56)40(2)42(4)64(57)46-31-35-48(36-32-46)66(44-19-9-6-10-20-44)55-25-15-23-50-49-21-11-13-26-58(49)68-62(50)55/h5-38H,1-4H3
InChIKeyONRPUHQPDGCBKV-UHFFFAOYSA-N
XLogP17.55
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.08
LogP ≤ 517.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-[7-[4-(N-dibenzofuran-1-ylanilino)phenyl]-2,3,5,6-tetramethylpyrrolo[3,2-f]indol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine with MolForge

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Related Compounds

N-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118405605
N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
CID 89492134
N,N-diphenyldibenzofuran-4-amine;ethane
CID 158587957
9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine
CID 163492549
N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine
CID 118651787
N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-7,9-diphenylcarbazol-3-amine;N-dibenzofuran-1-yl-7,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine;N-dibenzofuran-1-yl-7,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine;N-dibenzofuran-1-yl-7,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 161122971
6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 89492312
18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163659368
9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine
CID 155172997
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814340
N-dibenzofuran-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814779

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[4-(N-dibenzofuran-1-ylanilino)phenyl]-2,3,5,6-tetramethylpyrrolo[3,2-f]indol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine?
The IUPAC name of N-[4-[7-[4-(N-dibenzofuran-1-ylanilino)phenyl]-2,3,5,6-tetramethylpyrrolo[3,2-f]indol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine (CID 155097115) is N-[4-[7-[4-(N-dibenzofuran-1-ylanilino)phenyl]-2,3,5,6-tetramethylpyrrolo[3,2-f]indol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-[4-[7-[4-(N-dibenzofuran-1-ylanilino)phenyl]-2,3,5,6-tetramethylpyrrolo[3,2-f]indol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine?
The canonical SMILES for N-[4-[7-[4-(N-dibenzofuran-1-ylanilino)phenyl]-2,3,5,6-tetramethylpyrrolo[3,2-f]indol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine is Cc1c(C)n(-c2ccc(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc2)c2cc3c(cc12)c(C)c(C)n3-c1ccc(N(c2ccccc2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-[4-[7-[4-(N-dibenzofuran-1-ylanilino)phenyl]-2,3,5,6-tetramethylpyrrolo[3,2-f]indol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine?
The InChIKey is ONRPUHQPDGCBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N4O2/c1-39-41(3)63(45-29-33-47(34-30-45)65(43-17-7-5-8-18-43)54-24-16-28-60-61(54)51-22-12-14-27-59(51)67-60)56-38-57-53(37-52(39)56)40(2)42(4)64(57)46-31-35-48(36-32-46)66(44-19-9-6-10-20-44)55-25-15-23-50-49-21-11-13-26-58(49)68-62(50)55/h5-38H,1-4H3.
What are the key properties of N-[4-[7-[4-(N-dibenzofuran-1-ylanilino)phenyl]-2,3,5,6-tetramethylpyrrolo[3,2-f]indol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine?
N-[4-[7-[4-(N-dibenzofuran-1-ylanilino)phenyl]-2,3,5,6-tetramethylpyrrolo[3,2-f]indol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine has a molecular weight of 879.08 g/mol, XLogP of 17.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[4-(N-dibenzofuran-1-ylanilino)phenyl]-2,3,5,6-tetramethylpyrrolo[3,2-f]indol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 155097115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).