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

C49H36N2 — CID 166847479

IUPACN-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c5ccc6ccccc6c5n(-c5ccccc5)c4c3)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C49H36N2/c1-49(2)44-23-13-11-22-40(44)43-31-36(27-30-45(43)49)50(46-24-14-12-20-38(46)33-15-5-3-6-16-33)37-26-29-41-42-28-25-34-17-9-10-21-39(34)48(42)51(47(41)32-37)35-18-7-4-8-19-35/h3-32H,1-2H3
InChIKeyLKIGGGYFRSRZPC-UHFFFAOYSA-N
MW652.84 g/mol
LogP13.38
Rot. Bonds5

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

N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine (PubChem CID 166847479) 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-(2-phenylphenyl)benzo[a]carbazol-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
PubChem CID166847479
Molecular FormulaC49H36N2
Molecular Weight652.84 g/mol
Exact Mass652.29
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c5ccc6ccccc6c5n(-c5ccccc5)c4c3)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C49H36N2/c1-49(2)44-23-13-11-22-40(44)43-31-36(27-30-45(43)49)50(46-24-14-12-20-38(46)33-15-5-3-6-16-33)37-26-29-41-42-28-25-34-17-9-10-21-39(34)48(42)51(47(41)32-37)35-18-7-4-8-19-35/h3-32H,1-2H3
InChIKeyLKIGGGYFRSRZPC-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-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine
CID 169285372
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 166847480
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-8-amine
CID 166847861
N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine
CID 170139066
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
CID 166847815
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119634
9-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 130250239
N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847905
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 139567817
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 170139095
N-(9,9-dimethylfluoren-3-yl)-N,9-diphenylcarbazol-1-amine
CID 155004339
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177080212

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine (CID 166847479) is N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c5ccc6ccccc6c5n(-c5ccccc5)c4c3)c3ccccc3-c3ccccc3)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine?
The InChIKey is LKIGGGYFRSRZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2/c1-49(2)44-23-13-11-22-40(44)43-31-36(27-30-45(43)49)50(46-24-14-12-20-38(46)33-15-5-3-6-16-33)37-26-29-41-42-28-25-34-17-9-10-21-39(34)48(42)51(47(41)32-37)35-18-7-4-8-19-35/h3-32H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine?
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-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-(2-phenylphenyl)benzo[a]carbazol-9-amine is sourced from PubChem (CID 166847479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).