N-[4-[2-(9-dibenzothiophen-2-yl-4b,5-dihydrocarbazol-3-yl)phenyl]phenyl]-N-phenyl-3-(4-phenylphenyl)aniline

C60H42N2S — CID 144844401

IUPACN-[4-[2-(9-dibenzothiophen-2-yl-4b,5-dihydrocarbazol-3-yl)phenyl]phenyl]-N-phenyl-3-(4-phenylphenyl)aniline
SMILESC1=CCC2C(=C1)N(c1ccc3sc4ccccc4c3c1)c1ccc(-c3ccccc3-c3ccc(N(c4ccccc4)c4cccc(-c5ccc(-c6ccccc6)cc5)c4)cc3)cc12
InChIInChI=1S/C60H42N2S/c1-3-14-41(15-4-1)42-26-28-43(29-27-42)45-16-13-19-49(38-45)61(47-17-5-2-6-18-47)48-33-30-44(31-34-48)51-20-7-8-21-52(51)46-32-36-58-55(39-46)53-22-9-11-24-57(53)62(58)50-35-37-60-56(40-50)54-23-10-12-25-59(54)63-60/h1-21,23-40,53H,22H2
InChIKeyOEMFBIFKXCMIIP-UHFFFAOYSA-N
MW823.08 g/mol
LogP17.27
Rot. Bonds8

About N-[4-[2-(9-dibenzothiophen-2-yl-4b,5-dihydrocarbazol-3-yl)phenyl]phenyl]-N-phenyl-3-(4-phenylphenyl)aniline

N-[4-[2-(9-dibenzothiophen-2-yl-4b,5-dihydrocarbazol-3-yl)phenyl]phenyl]-N-phenyl-3-(4-phenylphenyl)aniline (PubChem CID 144844401) has the molecular formula C60H42N2S and a molecular weight of 823.08 g/mol. Its IUPAC name is N-[4-[2-(9-dibenzothiophen-2-yl-4b,5-dihydrocarbazol-3-yl)phenyl]phenyl]-N-phenyl-3-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2-(9-dibenzothiophen-2-yl-4b,5-dihydrocarbazol-3-yl)phenyl]phenyl]-N-phenyl-3-(4-phenylphenyl)aniline
PubChem CID144844401
Molecular FormulaC60H42N2S
Molecular Weight823.08 g/mol
Exact Mass822.31
IUPAC NameN-[4-[2-(9-dibenzothiophen-2-yl-4b,5-dihydrocarbazol-3-yl)phenyl]phenyl]-N-phenyl-3-(4-phenylphenyl)aniline
SMILESC1=CCC2C(=C1)N(c1ccc3sc4ccccc4c3c1)c1ccc(-c3ccccc3-c3ccc(N(c4ccccc4)c4cccc(-c5ccc(-c6ccccc6)cc5)c4)cc3)cc12
InChIInChI=1S/C60H42N2S/c1-3-14-41(15-4-1)42-26-28-43(29-27-42)45-16-13-19-49(38-45)61(47-17-5-2-6-18-47)48-33-30-44(31-34-48)51-20-7-8-21-52(51)46-32-36-58-55(39-46)53-22-9-11-24-57(53)62(58)50-35-37-60-56(40-50)54-23-10-12-25-59(54)63-60/h1-21,23-40,53H,22H2
InChIKeyOEMFBIFKXCMIIP-UHFFFAOYSA-N
XLogP17.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.08
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline
CID 144907550
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196056
N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline
CID 168846083
3-dibenzothiophen-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767039
N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline
CID 163723915
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501643
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-dibenzothiophen-2-yl-N-(3-dibenzothiophen-2-ylphenyl)aniline
CID 154955078
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 167169670
N-[4-(2-dibenzothiophen-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159692895

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(9-dibenzothiophen-2-yl-4b,5-dihydrocarbazol-3-yl)phenyl]phenyl]-N-phenyl-3-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[2-(9-dibenzothiophen-2-yl-4b,5-dihydrocarbazol-3-yl)phenyl]phenyl]-N-phenyl-3-(4-phenylphenyl)aniline (CID 144844401) is N-[4-[2-(9-dibenzothiophen-2-yl-4b,5-dihydrocarbazol-3-yl)phenyl]phenyl]-N-phenyl-3-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[2-(9-dibenzothiophen-2-yl-4b,5-dihydrocarbazol-3-yl)phenyl]phenyl]-N-phenyl-3-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[2-(9-dibenzothiophen-2-yl-4b,5-dihydrocarbazol-3-yl)phenyl]phenyl]-N-phenyl-3-(4-phenylphenyl)aniline is C1=CCC2C(=C1)N(c1ccc3sc4ccccc4c3c1)c1ccc(-c3ccccc3-c3ccc(N(c4ccccc4)c4cccc(-c5ccc(-c6ccccc6)cc5)c4)cc3)cc12.
What is the InChIKey of N-[4-[2-(9-dibenzothiophen-2-yl-4b,5-dihydrocarbazol-3-yl)phenyl]phenyl]-N-phenyl-3-(4-phenylphenyl)aniline?
The InChIKey is OEMFBIFKXCMIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2S/c1-3-14-41(15-4-1)42-26-28-43(29-27-42)45-16-13-19-49(38-45)61(47-17-5-2-6-18-47)48-33-30-44(31-34-48)51-20-7-8-21-52(51)46-32-36-58-55(39-46)53-22-9-11-24-57(53)62(58)50-35-37-60-56(40-50)54-23-10-12-25-59(54)63-60/h1-21,23-40,53H,22H2.
What are the key properties of N-[4-[2-(9-dibenzothiophen-2-yl-4b,5-dihydrocarbazol-3-yl)phenyl]phenyl]-N-phenyl-3-(4-phenylphenyl)aniline?
N-[4-[2-(9-dibenzothiophen-2-yl-4b,5-dihydrocarbazol-3-yl)phenyl]phenyl]-N-phenyl-3-(4-phenylphenyl)aniline has a molecular weight of 823.08 g/mol, XLogP of 17.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(9-dibenzothiophen-2-yl-4b,5-dihydrocarbazol-3-yl)phenyl]phenyl]-N-phenyl-3-(4-phenylphenyl)aniline is sourced from PubChem (CID 144844401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).