N-[3-[6-(2-carbazol-9-ylphenyl)-1,1,2,2,3,3-hexamethylinden-5-yl]phenyl]-N,2-diphenylaniline

C57H50N2 — CID 177269833

IUPACN-[3-[6-(2-carbazol-9-ylphenyl)-1,1,2,2,3,3-hexamethylinden-5-yl]phenyl]-N,2-diphenylaniline
SMILESCC1(C)c2cc(-c3cccc(N(c4ccccc4)c4ccccc4-c4ccccc4)c3)c(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2C(C)(C)C1(C)C
InChIInChI=1S/C57H50N2/c1-55(2)49-37-47(40-24-21-27-42(36-40)58(41-25-11-8-12-26-41)51-32-17-13-28-43(51)39-22-9-7-10-23-39)48(38-50(49)56(3,4)57(55,5)6)46-31-16-20-35-54(46)59-52-33-18-14-29-44(52)45-30-15-19-34-53(45)59/h7-38H,1-6H3
InChIKeyCWLWGVHSLMDKGF-UHFFFAOYSA-N
MW763.04 g/mol
LogP15.85
Rot. Bonds7

About N-[3-[6-(2-carbazol-9-ylphenyl)-1,1,2,2,3,3-hexamethylinden-5-yl]phenyl]-N,2-diphenylaniline

N-[3-[6-(2-carbazol-9-ylphenyl)-1,1,2,2,3,3-hexamethylinden-5-yl]phenyl]-N,2-diphenylaniline (PubChem CID 177269833) has the molecular formula C57H50N2 and a molecular weight of 763.04 g/mol. Its IUPAC name is N-[3-[6-(2-carbazol-9-ylphenyl)-1,1,2,2,3,3-hexamethylinden-5-yl]phenyl]-N,2-diphenylaniline.

Molecular Properties

Compound NameN-[3-[6-(2-carbazol-9-ylphenyl)-1,1,2,2,3,3-hexamethylinden-5-yl]phenyl]-N,2-diphenylaniline
PubChem CID177269833
Molecular FormulaC57H50N2
Molecular Weight763.04 g/mol
Exact Mass762.40
IUPAC NameN-[3-[6-(2-carbazol-9-ylphenyl)-1,1,2,2,3,3-hexamethylinden-5-yl]phenyl]-N,2-diphenylaniline
SMILESCC1(C)c2cc(-c3cccc(N(c4ccccc4)c4ccccc4-c4ccccc4)c3)c(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2C(C)(C)C1(C)C
InChIInChI=1S/C57H50N2/c1-55(2)49-37-47(40-24-21-27-42(36-40)58(41-25-11-8-12-26-41)51-32-17-13-28-43(51)39-22-9-7-10-23-39)48(38-50(49)56(3,4)57(55,5)6)46-31-16-20-35-54(46)59-52-33-18-14-29-44(52)45-30-15-19-34-53(45)59/h7-38H,1-6H3
InChIKeyCWLWGVHSLMDKGF-UHFFFAOYSA-N
XLogP15.85
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.04
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-2-(3-phenylphenyl)aniline
CID 167322460
N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 170567774
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline
CID 142416181
N,N-bis(3-phenylphenyl)-2-[9-[3-(2-phenylphenyl)phenyl]carbazol-2-yl]aniline;N,N-diphenyl-2-[9-[2-(2-phenylphenyl)phenyl]carbazol-2-yl]aniline;N,N-diphenyl-2-[9-[2-(3-phenylphenyl)phenyl]carbazol-2-yl]aniline
CID 159939662
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline
CID 142416169
N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 118103122
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 139544776
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-3-(2-phenylphenyl)aniline
CID 167322827
N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544729
N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-phenyl-4-(2-phenylphenyl)naphthalen-1-amine
CID 174310766
N,N-bis(3-phenylphenyl)-2-[2-[9-[3-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline;N,N-diphenyl-2-[2-[9-[2-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline;N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline
CID 157255211
N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(2-phenylphenyl)aniline
CID 170271781

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(2-carbazol-9-ylphenyl)-1,1,2,2,3,3-hexamethylinden-5-yl]phenyl]-N,2-diphenylaniline?
The IUPAC name of N-[3-[6-(2-carbazol-9-ylphenyl)-1,1,2,2,3,3-hexamethylinden-5-yl]phenyl]-N,2-diphenylaniline (CID 177269833) is N-[3-[6-(2-carbazol-9-ylphenyl)-1,1,2,2,3,3-hexamethylinden-5-yl]phenyl]-N,2-diphenylaniline.
What is the SMILES notation for N-[3-[6-(2-carbazol-9-ylphenyl)-1,1,2,2,3,3-hexamethylinden-5-yl]phenyl]-N,2-diphenylaniline?
The canonical SMILES for N-[3-[6-(2-carbazol-9-ylphenyl)-1,1,2,2,3,3-hexamethylinden-5-yl]phenyl]-N,2-diphenylaniline is CC1(C)c2cc(-c3cccc(N(c4ccccc4)c4ccccc4-c4ccccc4)c3)c(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2C(C)(C)C1(C)C.
What is the InChIKey of N-[3-[6-(2-carbazol-9-ylphenyl)-1,1,2,2,3,3-hexamethylinden-5-yl]phenyl]-N,2-diphenylaniline?
The InChIKey is CWLWGVHSLMDKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H50N2/c1-55(2)49-37-47(40-24-21-27-42(36-40)58(41-25-11-8-12-26-41)51-32-17-13-28-43(51)39-22-9-7-10-23-39)48(38-50(49)56(3,4)57(55,5)6)46-31-16-20-35-54(46)59-52-33-18-14-29-44(52)45-30-15-19-34-53(45)59/h7-38H,1-6H3.
What are the key properties of N-[3-[6-(2-carbazol-9-ylphenyl)-1,1,2,2,3,3-hexamethylinden-5-yl]phenyl]-N,2-diphenylaniline?
N-[3-[6-(2-carbazol-9-ylphenyl)-1,1,2,2,3,3-hexamethylinden-5-yl]phenyl]-N,2-diphenylaniline has a molecular weight of 763.04 g/mol, XLogP of 15.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(2-carbazol-9-ylphenyl)-1,1,2,2,3,3-hexamethylinden-5-yl]phenyl]-N,2-diphenylaniline is sourced from PubChem (CID 177269833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).