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

C54H40N2 — CID 144907550

IUPACN,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline
SMILESC1=CCC2C(=C1)N(c1ccccc1-c1cccc(-c3ccccc3)c1)c1cc(-c3ccccc3-c3ccccc3N(c3ccccc3)c3ccccc3)ccc12
InChIInChI=1S/C54H40N2/c1-4-19-39(20-5-1)40-21-18-22-41(37-40)46-28-12-15-32-51(46)56-53-34-17-14-31-49(53)50-36-35-42(38-54(50)56)45-27-10-11-29-47(45)48-30-13-16-33-52(48)55(43-23-6-2-7-24-43)44-25-8-3-9-26-44/h1-30,32-38,49H,31H2
InChIKeyNKMYMSLHWSFLOF-UHFFFAOYSA-N
MW716.93 g/mol
LogP14.90
Rot. Bonds8

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

N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline (PubChem CID 144907550) has the molecular formula C54H40N2 and a molecular weight of 716.93 g/mol. Its IUPAC name is N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline
PubChem CID144907550
Molecular FormulaC54H40N2
Molecular Weight716.93 g/mol
Exact Mass716.32
IUPAC NameN,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline
SMILESC1=CCC2C(=C1)N(c1ccccc1-c1cccc(-c3ccccc3)c1)c1cc(-c3ccccc3-c3ccccc3N(c3ccccc3)c3ccccc3)ccc12
InChIInChI=1S/C54H40N2/c1-4-19-39(20-5-1)40-21-18-22-41(37-40)46-28-12-15-32-51(46)56-53-34-17-14-31-49(53)50-36-35-42(38-54(50)56)45-27-10-11-29-47(45)48-30-13-16-33-52(48)55(43-23-6-2-7-24-43)44-25-8-3-9-26-44/h1-30,32-38,49H,31H2
InChIKeyNKMYMSLHWSFLOF-UHFFFAOYSA-N
XLogP14.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.93
LogP ≤ 514.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172501823
9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole
CID 166668356
N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502893
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
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501217
N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172501038
N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]aniline
CID 139322197
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-2-(3-phenylphenyl)aniline
CID 167322460
N-(3-naphthalen-2-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 167271677
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172501510

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline?
The IUPAC name of N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline (CID 144907550) is N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline?
The canonical SMILES for N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline is C1=CCC2C(=C1)N(c1ccccc1-c1cccc(-c3ccccc3)c1)c1cc(-c3ccccc3-c3ccccc3N(c3ccccc3)c3ccccc3)ccc12.
What is the InChIKey of N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline?
The InChIKey is NKMYMSLHWSFLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2/c1-4-19-39(20-5-1)40-21-18-22-41(37-40)46-28-12-15-32-51(46)56-53-34-17-14-31-49(53)50-36-35-42(38-54(50)56)45-27-10-11-29-47(45)48-30-13-16-33-52(48)55(43-23-6-2-7-24-43)44-25-8-3-9-26-44/h1-30,32-38,49H,31H2.
What are the key properties of N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline?
N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline has a molecular weight of 716.93 g/mol, XLogP of 14.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline is sourced from PubChem (CID 144907550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).