N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane

C256H181N11OS4 — CID 160555872

IUPACN-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane
SMILESC.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cc6ccccc6s5)cc4)cc3)cc2)c2ccc(-c3cc4ccccc4s3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc3)cc2)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C59H44N2.C54H36N4.C52H36N2S2.C48H32N2S2.C42H29NO.CH4/c1-59(2)55-39-49(60(57-25-13-21-45-19-9-11-23-51(45)57)47-31-27-43(28-32-47)41-15-5-3-6-16-41)35-37-53(55)54-38-36-50(40-56(54)59)61(58-26-14-22-46-20-10-12-24-52(46)58)48-33-29-44(30-34-48)42-17-7-4-8-18-42;1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-3-13-43(14-4-1)53(47-31-23-39(24-32-47)51-35-41-11-7-9-17-49(41)55-51)45-27-19-37(20-28-45)38-21-29-46(30-22-38)54(44-15-5-2-6-16-44)48-33-25-40(26-34-48)52-36-42-12-8-10-18-50(42)56-52;1-3-13-35(14-4-1)49(43-21-11-19-41-39-17-7-9-23-45(39)51-47(41)43)37-29-25-33(26-30-37)34-27-31-38(32-28-34)50(36-15-5-2-6-16-36)44-22-12-20-42-40-18-8-10-24-46(40)52-48(42)44;1-3-10-30(11-4-1)32-18-24-35(25-19-32)43(36-26-20-33(21-27-36)31-12-5-2-6-13-31)37-28-22-34(23-29-37)38-15-9-16-40-39-14-7-8-17-41(39)44-42(38)40;/h3-40H,1-2H3;1-36H;1-36H;1-32H;1-29H;1H4
InChIKeyQYRFIHXVUSQHME-UHFFFAOYSA-N
MW3555.61 g/mol
LogP74.80
Rot. Bonds36

About N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane

N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane (PubChem CID 160555872) has the molecular formula C256H181N11OS4 and a molecular weight of 3555.61 g/mol. Its IUPAC name is N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane.

Molecular Properties

Compound NameN-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane
PubChem CID160555872
Molecular FormulaC256H181N11OS4
Molecular Weight3555.61 g/mol
Exact Mass3552.33
IUPAC NameN-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane
SMILESC.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cc6ccccc6s5)cc4)cc3)cc2)c2ccc(-c3cc4ccccc4s3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc3)cc2)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C59H44N2.C54H36N4.C52H36N2S2.C48H32N2S2.C42H29NO.CH4/c1-59(2)55-39-49(60(57-25-13-21-45-19-9-11-23-51(45)57)47-31-27-43(28-32-47)41-15-5-3-6-16-41)35-37-53(55)54-38-36-50(40-56(54)59)61(58-26-14-22-46-20-10-12-24-52(46)58)48-33-29-44(30-34-48)42-17-7-4-8-18-42;1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-3-13-43(14-4-1)53(47-31-23-39(24-32-47)51-35-41-11-7-9-17-49(41)55-51)45-27-19-37(20-28-45)38-21-29-46(30-22-38)54(44-15-5-2-6-16-44)48-33-25-40(26-34-48)52-36-42-12-8-10-18-50(42)56-52;1-3-13-35(14-4-1)49(43-21-11-19-41-39-17-7-9-23-45(39)51-47(41)43)37-29-25-33(26-30-37)34-27-31-38(32-28-34)50(36-15-5-2-6-16-36)44-22-12-20-42-40-18-8-10-24-46(40)52-48(42)44;1-3-10-30(11-4-1)32-18-24-35(25-19-32)43(36-26-20-33(21-27-36)31-12-5-2-6-13-31)37-28-22-34(23-29-37)38-15-9-16-40-39-14-7-8-17-41(39)44-42(38)40;/h3-40H,1-2H3;1-36H;1-36H;1-32H;1-29H;1H4
InChIKeyQYRFIHXVUSQHME-UHFFFAOYSA-N
XLogP74.80
TPSA53.85 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms272
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003555.61
LogP ≤ 574.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane?
The IUPAC name of N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane (CID 160555872) is N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane.
What is the SMILES notation for N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane?
The canonical SMILES for N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane is C.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cc6ccccc6s5)cc4)cc3)cc2)c2ccc(-c3cc4ccccc4s3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc3)cc2)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane?
The InChIKey is QYRFIHXVUSQHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N2.C54H36N4.C52H36N2S2.C48H32N2S2.C42H29NO.CH4/c1-59(2)55-39-49(60(57-25-13-21-45-19-9-11-23-51(45)57)47-31-27-43(28-32-47)41-15-5-3-6-16-41)35-37-53(55)54-38-36-50(40-56(54)59)61(58-26-14-22-46-20-10-12-24-52(46)58)48-33-29-44(30-34-48)42-17-7-4-8-18-42;1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-3-13-43(14-4-1)53(47-31-23-39(24-32-47)51-35-41-11-7-9-17-49(41)55-51)45-27-19-37(20-28-45)38-21-29-46(30-22-38)54(44-15-5-2-6-16-44)48-33-25-40(26-34-48)52-36-42-12-8-10-18-50(42)56-52;1-3-13-35(14-4-1)49(43-21-11-19-41-39-17-7-9-23-45(39)51-47(41)43)37-29-25-33(26-30-37)34-27-31-38(32-28-34)50(36-15-5-2-6-16-36)44-22-12-20-42-40-18-8-10-24-46(40)52-48(42)44;1-3-10-30(11-4-1)32-18-24-35(25-19-32)43(36-26-20-33(21-27-36)31-12-5-2-6-13-31)37-28-22-34(23-29-37)38-15-9-16-40-39-14-7-8-17-41(39)44-42(38)40;/h3-40H,1-2H3;1-36H;1-36H;1-32H;1-29H;1H4.
What are the key properties of N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane?
N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane has a molecular weight of 3555.61 g/mol, XLogP of 74.80, 36 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane is sourced from PubChem (CID 160555872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).