N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine

C49H36N2 — CID 166847815

IUPACN-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccc5c6ccccc6n(-c6ccccc6)c5c4c3)ccc21
InChIInChI=1S/C49H36N2/c1-49(2)45-22-11-9-20-40(45)44-32-39(27-29-46(44)49)50(37-19-13-16-35(30-37)33-14-5-3-6-15-33)38-26-24-34-25-28-42-41-21-10-12-23-47(41)51(48(42)43(34)31-38)36-17-7-4-8-18-36/h3-32H,1-2H3
InChIKeyOXQCAGFWKFCLBT-UHFFFAOYSA-N
MW652.84 g/mol
LogP13.38
Rot. Bonds5

About N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine

N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine (PubChem CID 166847815) 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-(3-phenylphenyl)benzo[a]carbazol-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
PubChem CID166847815
Molecular FormulaC49H36N2
Molecular Weight652.84 g/mol
Exact Mass652.29
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccc5c6ccccc6n(-c6ccccc6)c5c4c3)ccc21
InChIInChI=1S/C49H36N2/c1-49(2)45-22-11-9-20-40(45)44-32-39(27-29-46(44)49)50(37-19-13-16-35(30-37)33-14-5-3-6-15-33)38-26-24-34-25-28-42-41-21-10-12-23-47(41)51(48(42)43(34)31-38)36-17-7-4-8-18-36/h3-32H,1-2H3
InChIKeyOXQCAGFWKFCLBT-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-(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 166847480
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 139568029
N-(9,9-dimethylfluoren-3-yl)-N,9-diphenylcarbazol-1-amine
CID 155004339
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
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
CID 90261832
N-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169010188
N-[3-[3-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118490399
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-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine (CID 166847815) is N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine is CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccc5c6ccccc6n(-c6ccccc6)c5c4c3)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine?
The InChIKey is OXQCAGFWKFCLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2/c1-49(2)45-22-11-9-20-40(45)44-32-39(27-29-46(44)49)50(37-19-13-16-35(30-37)33-14-5-3-6-15-33)38-26-24-34-25-28-42-41-21-10-12-23-47(41)51(48(42)43(34)31-38)36-17-7-4-8-18-36/h3-32H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine?
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-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-(3-phenylphenyl)benzo[a]carbazol-2-amine is sourced from PubChem (CID 166847815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).