N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine

C49H36N2 — CID 166847480

IUPACN-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccc5ccccc5c3n4-c3ccccc3)ccc21
InChIInChI=1S/C49H36N2/c1-49(2)45-20-12-11-19-41(45)43-31-38(26-29-46(43)49)50(37-24-21-34(22-25-37)33-13-5-3-6-14-33)39-27-30-47-44(32-39)42-28-23-35-15-9-10-18-40(35)48(42)51(47)36-16-7-4-8-17-36/h3-32H,1-2H3
InChIKeyJWEUDRWMDYOFMG-UHFFFAOYSA-N
MW652.84 g/mol
LogP13.38
Rot. Bonds5

About N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine

N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine (PubChem CID 166847480) has the molecular formula C49H36N2 and a molecular weight of 652.84 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine
PubChem CID166847480
Molecular FormulaC49H36N2
Molecular Weight652.84 g/mol
Exact Mass652.29
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccc5ccccc5c3n4-c3ccccc3)ccc21
InChIInChI=1S/C49H36N2/c1-49(2)45-20-12-11-19-41(45)43-31-38(26-29-46(43)49)50(37-24-21-34(22-25-37)33-13-5-3-6-14-33)39-27-30-47-44(32-39)42-28-23-35-15-9-10-18-40(35)48(42)51(47)36-16-7-4-8-17-36/h3-32H,1-2H3
InChIKeyJWEUDRWMDYOFMG-UHFFFAOYSA-N
XLogP13.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.84
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-8-amine
CID 166847861
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
CID 166847815
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847479
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
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-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
N-(9,9-dimethylfluoren-2-yl)-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-9-amine
CID 174305786
9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine
CID 168781573
1-N-(9,9-dimethylfluoren-3-yl)-1-N,4-N-bis(4-methylphenyl)-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 71249275
N-(9,9-dimethylfluoren-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine
CID 169285372
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 176605475

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine (CID 166847480) is N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccc5ccccc5c3n4-c3ccccc3)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine?
The InChIKey is JWEUDRWMDYOFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2/c1-49(2)45-20-12-11-19-41(45)43-31-38(26-29-46(43)49)50(37-24-21-34(22-25-37)33-13-5-3-6-14-33)39-27-30-47-44(32-39)42-28-23-35-15-9-10-18-40(35)48(42)51(47)36-16-7-4-8-17-36/h3-32H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine?
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine has a molecular weight of 652.84 g/mol, XLogP of 13.38, 5 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)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine is sourced from PubChem (CID 166847480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).