N-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,4-diphenylaniline;N-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N,9-diphenylcarbazol-3-amine

C129H88N4OS2 — CID 165101967

About N-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,4-diphenylaniline;N-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N,9-diphenylcarbazol-3-amine

N-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,4-diphenylaniline;N-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N,9-diphenylcarbazol-3-amine (PubChem CID 165101967) has the molecular formula C129H88N4OS2 and a molecular weight of 1774.28 g/mol. Its IUPAC name is N-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,4-diphenylaniline;N-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N,9-diphenylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,4-diphenylaniline;N-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N,9-diphenylcarbazol-3-amine
• PubChem CID: 165101967
• Molecular Formula: C129H88N4OS2
• Molecular Weight: 1774.28 g/mol
• Exact Mass: 1772.64
• IUPAC Name: N-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,4-diphenylaniline;N-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N,9-diphenylcarbazol-3-amine
• SMILES: CC1(C)c2ccccc2-c2c1cc(-c1ccc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cc1)c1ccccc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4ccc4oc6ccccc6c45)cc3)cc2)cc1.c1ccc(N(c2cccc(-c3ccc4ccc5sc6ccccc6c5c4c3)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C46H30N2S.C43H31NS.C40H27NO/c1-3-13-34(14-4-1)47(37-25-26-43-41(30-37)38-18-7-9-20-42(38)48(43)35-15-5-2-6-16-35)36-17-11-12-32(28-36)33-23-22-31-24-27-45-46(40(31)29-33)39-19-8-10-21-44(39)49-45;1-43(2)38-18-10-8-17-35(38)42-34-16-7-6-14-32(34)36(27-39(42)43)28-20-22-30(23-21-28)44(29-12-4-3-5-13-29)31-24-25-41-37(26-31)33-15-9-11-19-40(33)45-41;1-3-10-28(11-4-1)29-18-22-32(23-19-29)41(31-12-5-2-6-13-31)33-24-20-30(21-25-33)34-15-9-16-36-35(34)26-27-39-40(36)37-14-7-8-17-38(37)42-39/h1-30H;3-27H,1-2H3;1-27H
• InChIKey: YMFIMOXTNKDLHT-UHFFFAOYSA-N
• XLogP: 37.64
• TPSA: 27.79 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1774.28
LogP ≤ 5	37.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,4-diphenylaniline;N-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N,9-diphenylcarbazol-3-amine?

The IUPAC name of N-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,4-diphenylaniline;N-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N,9-diphenylcarbazol-3-amine (CID 165101967) is N-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,4-diphenylaniline;N-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N,9-diphenylcarbazol-3-amine.

What is the SMILES notation for N-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,4-diphenylaniline;N-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N,9-diphenylcarbazol-3-amine?

The canonical SMILES for N-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,4-diphenylaniline;N-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N,9-diphenylcarbazol-3-amine is CC1(C)c2ccccc2-c2c1cc(-c1ccc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cc1)c1ccccc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4ccc4oc6ccccc6c45)cc3)cc2)cc1.c1ccc(N(c2cccc(-c3ccc4ccc5sc6ccccc6c5c4c3)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.

What is the InChIKey of N-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,4-diphenylaniline;N-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N,9-diphenylcarbazol-3-amine?

The InChIKey is YMFIMOXTNKDLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2S.C43H31NS.C40H27NO/c1-3-13-34(14-4-1)47(37-25-26-43-41(30-37)38-18-7-9-20-42(38)48(43)35-15-5-2-6-16-35)36-17-11-12-32(28-36)33-23-22-31-24-27-45-46(40(31)29-33)39-19-8-10-21-44(39)49-45;1-43(2)38-18-10-8-17-35(38)42-34-16-7-6-14-32(34)36(27-39(42)43)28-20-22-30(23-21-28)44(29-12-4-3-5-13-29)31-24-25-41-37(26-31)33-15-9-11-19-40(33)45-41;1-3-10-28(11-4-1)29-18-22-32(23-19-29)41(31-12-5-2-6-13-31)33-24-20-30(21-25-33)34-15-9-16-36-35(34)26-27-39-40(36)37-14-7-8-17-38(37)42-39/h1-30H;3-27H,1-2H3;1-27H.

What are the key properties of N-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,4-diphenylaniline;N-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N,9-diphenylcarbazol-3-amine?

N-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,4-diphenylaniline;N-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N,9-diphenylcarbazol-3-amine has a molecular weight of 1774.28 g/mol, XLogP of 37.64, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,4-diphenylaniline;N-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 165101967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).