7-[4-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-N,N,5-triphenylbenzo[g]carbazol-9-amine

C55H48N2 — CID 170277579

IUPAC7-[4-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-N,N,5-triphenylbenzo[g]carbazol-9-amine
SMILESCC1(C)c2ccc(-c3ccc(-n4c5cc(N(c6ccccc6)c6ccccc6)ccc5c5c6ccccc6c(-c6ccccc6)cc54)cc3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C55H48N2/c1-53(2)48-33-28-39(34-49(48)54(3,4)55(53,5)6)37-26-29-42(30-27-37)57-50-35-43(56(40-20-12-8-13-21-40)41-22-14-9-15-23-41)31-32-46(50)52-45-25-17-16-24-44(45)47(36-51(52)57)38-18-10-7-11-19-38/h7-36H,1-6H3
InChIKeyQFDYECBZOMEZTL-UHFFFAOYSA-N
MW737.00 g/mol
LogP15.34
Rot. Bonds6

About 7-[4-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-N,N,5-triphenylbenzo[g]carbazol-9-amine

7-[4-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-N,N,5-triphenylbenzo[g]carbazol-9-amine (PubChem CID 170277579) has the molecular formula C55H48N2 and a molecular weight of 737.00 g/mol. Its IUPAC name is 7-[4-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-N,N,5-triphenylbenzo[g]carbazol-9-amine.

Molecular Properties

Compound Name7-[4-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-N,N,5-triphenylbenzo[g]carbazol-9-amine
PubChem CID170277579
Molecular FormulaC55H48N2
Molecular Weight737.00 g/mol
Exact Mass736.38
IUPAC Name7-[4-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-N,N,5-triphenylbenzo[g]carbazol-9-amine
SMILESCC1(C)c2ccc(-c3ccc(-n4c5cc(N(c6ccccc6)c6ccccc6)ccc5c5c6ccccc6c(-c6ccccc6)cc54)cc3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C55H48N2/c1-53(2)48-33-28-39(34-49(48)54(3,4)55(53,5)6)37-26-29-42(30-27-37)57-50-35-43(56(40-20-12-8-13-21-40)41-22-14-9-15-23-41)31-32-46(50)52-45-25-17-16-24-44(45)47(36-51(52)57)38-18-10-7-11-19-38/h7-36H,1-6H3
InChIKeyQFDYECBZOMEZTL-UHFFFAOYSA-N
XLogP15.34
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.00
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,2,2,3,3-hexamethyl-N-[2-methyl-4-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylinden-5-amine
CID 145257422
4-[12,15-diphenyl-9-[4-(N-phenylanilino)phenyl]-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-18-yl]-N,N-diphenylaniline
CID 143607921
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009715
2-carbazol-9-yl-9-[7-(2-carbazol-9-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]carbazole;2-carbazol-9-yl-9-[4-(2-carbazol-9-yl-6-phenylcarbazol-9-yl)phenyl]-6-phenylcarbazole;9-[9,9-dimethyl-7-[2-(N-phenylanilino)carbazol-9-yl]fluoren-2-yl]-N,N-diphenylcarbazol-2-amine;9-[9-[4-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-3,6-diphenylcarbazole
CID 158084522
ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline
CID 142500208
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385657
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-[9-phenyl-7-[2-phenyl-9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-4-yl]carbazol-2-yl]phenyl]carbazol-2-amine
CID 167219897
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-N,N,5-triphenylbenzo[g]carbazol-9-amine?
The IUPAC name of 7-[4-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-N,N,5-triphenylbenzo[g]carbazol-9-amine (CID 170277579) is 7-[4-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-N,N,5-triphenylbenzo[g]carbazol-9-amine.
What is the SMILES notation for 7-[4-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-N,N,5-triphenylbenzo[g]carbazol-9-amine?
The canonical SMILES for 7-[4-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-N,N,5-triphenylbenzo[g]carbazol-9-amine is CC1(C)c2ccc(-c3ccc(-n4c5cc(N(c6ccccc6)c6ccccc6)ccc5c5c6ccccc6c(-c6ccccc6)cc54)cc3)cc2C(C)(C)C1(C)C.
What is the InChIKey of 7-[4-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-N,N,5-triphenylbenzo[g]carbazol-9-amine?
The InChIKey is QFDYECBZOMEZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H48N2/c1-53(2)48-33-28-39(34-49(48)54(3,4)55(53,5)6)37-26-29-42(30-27-37)57-50-35-43(56(40-20-12-8-13-21-40)41-22-14-9-15-23-41)31-32-46(50)52-45-25-17-16-24-44(45)47(36-51(52)57)38-18-10-7-11-19-38/h7-36H,1-6H3.
What are the key properties of 7-[4-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-N,N,5-triphenylbenzo[g]carbazol-9-amine?
7-[4-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-N,N,5-triphenylbenzo[g]carbazol-9-amine has a molecular weight of 737.00 g/mol, XLogP of 15.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-N,N,5-triphenylbenzo[g]carbazol-9-amine is sourced from PubChem (CID 170277579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).