N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine

C42H31N3 — CID 146926294

IUPACN-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccncc3)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C42H31N3/c1-42(2)38-27-32(17-20-34(38)36-19-16-28-10-6-7-13-33(28)41(36)42)44(29-11-4-3-5-12-29)31-18-21-40-37(26-31)35-14-8-9-15-39(35)45(40)30-22-24-43-25-23-30/h3-27H,1-2H3
InChIKeyAEDIWJFLDPLOOE-UHFFFAOYSA-N
MW577.73 g/mol
LogP11.11
Rot. Bonds4

About N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine

N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine (PubChem CID 146926294) has the molecular formula C42H31N3 and a molecular weight of 577.73 g/mol. Its IUPAC name is N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine.

Molecular Properties

Compound NameN-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine
PubChem CID146926294
Molecular FormulaC42H31N3
Molecular Weight577.73 g/mol
Exact Mass577.25
IUPAC NameN-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccncc3)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C42H31N3/c1-42(2)38-27-32(17-20-34(38)36-19-16-28-10-6-7-13-33(28)41(36)42)44(29-11-4-3-5-12-29)31-18-21-40-37(26-31)35-14-8-9-15-39(35)45(40)30-22-24-43-25-23-30/h3-27H,1-2H3
InChIKeyAEDIWJFLDPLOOE-UHFFFAOYSA-N
XLogP11.11
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 168771528
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine
CID 71248704
N-[9,9-dimethyl-7-(7-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)fluoren-2-yl]-N,9-diphenylcarbazol-3-amine
CID 177100411
9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine
CID 118333375
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-phenylfluoren-2-amine
CID 58390108
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine
CID 134216030
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58969347
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-phenylfluoren-2-amine
CID 58390006
N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 90306200
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,N-bis(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;7-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 162097788
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 58389884

Frequently Asked Questions

What is the IUPAC name of N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine?
The IUPAC name of N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine (CID 146926294) is N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine.
What is the SMILES notation for N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine?
The canonical SMILES for N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccncc3)ccc2-c2ccc3ccccc3c21.
What is the InChIKey of N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine?
The InChIKey is AEDIWJFLDPLOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3/c1-42(2)38-27-32(17-20-34(38)36-19-16-28-10-6-7-13-33(28)41(36)42)44(29-11-4-3-5-12-29)31-18-21-40-37(26-31)35-14-8-9-15-39(35)45(40)30-22-24-43-25-23-30/h3-27H,1-2H3.
What are the key properties of N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine?
N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine has a molecular weight of 577.73 g/mol, XLogP of 11.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine is sourced from PubChem (CID 146926294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).