N-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine

C51H38N2 — CID 169010188

IUPACN-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c5c(-c6ccccc6)cccc5n(-c5ccccc5)c4c3)ccc21
InChIInChI=1S/C51H38N2/c1-51(2)46-26-13-12-24-43(46)45-33-40(29-31-47(45)51)52(39-23-14-20-37(32-39)35-16-6-3-7-17-35)41-28-30-44-49(34-41)53(38-21-10-5-11-22-38)48-27-15-25-42(50(44)48)36-18-8-4-9-19-36/h3-34H,1-2H3
InChIKeyKKPDALGJVJHPBF-UHFFFAOYSA-N
MW678.88 g/mol
LogP13.89
Rot. Bonds6

About N-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine

N-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine (PubChem CID 169010188) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
PubChem CID169010188
Molecular FormulaC51H38N2
Molecular Weight678.88 g/mol
Exact Mass678.30
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c5c(-c6ccccc6)cccc5n(-c5ccccc5)c4c3)ccc21
InChIInChI=1S/C51H38N2/c1-51(2)46-26-13-12-24-43(46)45-33-40(29-31-47(45)51)52(39-23-14-20-37(32-39)35-16-6-3-7-17-35)41-28-30-44-49(34-41)53(38-21-10-5-11-22-38)48-27-15-25-42(50(44)48)36-18-8-4-9-19-36/h3-34H,1-2H3
InChIKeyKKPDALGJVJHPBF-UHFFFAOYSA-N
XLogP13.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009715
9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine
CID 170286776
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 166659757
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 139568029
7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385657
5,9-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)carbazol-2-amine
CID 169010333
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
N,N,5,9-tetraphenylcarbazol-2-amine
CID 155156029
7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385651
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878096

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine (CID 169010188) is N-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine is CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c5c(-c6ccccc6)cccc5n(-c5ccccc5)c4c3)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine?
The InChIKey is KKPDALGJVJHPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2/c1-51(2)46-26-13-12-24-43(46)45-33-40(29-31-47(45)51)52(39-23-14-20-37(32-39)35-16-6-3-7-17-35)41-28-30-44-49(34-41)53(38-21-10-5-11-22-38)48-27-15-25-42(50(44)48)36-18-8-4-9-19-36/h3-34H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine?
N-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine has a molecular weight of 678.88 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 169010188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).