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

C65H44N2 — CID 166503654

IUPACN-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
SMILESc1ccc(-c2cccc(-n3c4cc(N(c5ccccc5)c5ccc6c(c5)C(c5ccccc5)(c5cccc(-c7ccccc7)c5)c5ccccc5-6)ccc4c4ccc5ccccc5c43)c2)cc1
InChIInChI=1S/C65H44N2/c1-5-19-45(20-6-1)48-24-17-28-51(41-48)65(50-26-9-3-10-27-50)61-34-16-15-33-57(61)58-39-36-54(43-62(58)65)66(52-29-11-4-12-30-52)55-37-40-59-60-38-35-47-23-13-14-32-56(47)64(60)67(63(59)44-55)53-31-18-25-49(42-53)46-21-7-2-8-22-46/h1-44H
InChIKeyNXFCEAUDQQISLT-UHFFFAOYSA-N
MW853.08 g/mol
LogP17.10
Rot. Bonds8

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

N-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine (PubChem CID 166503654) has the molecular formula C65H44N2 and a molecular weight of 853.08 g/mol. Its IUPAC name is N-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine.

Molecular Properties

Compound NameN-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
PubChem CID166503654
Molecular FormulaC65H44N2
Molecular Weight853.08 g/mol
Exact Mass852.35
IUPAC NameN-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
SMILESc1ccc(-c2cccc(-n3c4cc(N(c5ccccc5)c5ccc6c(c5)C(c5ccccc5)(c5cccc(-c7ccccc7)c5)c5ccccc5-6)ccc4c4ccc5ccccc5c43)c2)cc1
InChIInChI=1S/C65H44N2/c1-5-19-45(20-6-1)48-24-17-28-51(41-48)65(50-26-9-3-10-27-50)61-34-16-15-33-57(61)58-39-36-54(43-62(58)65)66(52-29-11-4-12-30-52)55-37-40-59-60-38-35-47-23-13-14-32-56(47)64(60)67(63(59)44-55)53-31-18-25-49(42-53)46-21-7-2-8-22-46/h1-44H
InChIKeyNXFCEAUDQQISLT-UHFFFAOYSA-N
XLogP17.10
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.08
LogP ≤ 517.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-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

N-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
CID 166503702
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine
CID 168782174
N-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
CID 166503677
N-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine
CID 166503635
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine
CID 166503673
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168781399
N-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375458
9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine
CID 168781573
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 168781333
N-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine
CID 166503597
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 166565681

Frequently Asked Questions

What is the IUPAC name of N-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine?
The IUPAC name of N-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine (CID 166503654) is N-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine.
What is the SMILES notation for N-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine?
The canonical SMILES for N-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine is c1ccc(-c2cccc(-n3c4cc(N(c5ccccc5)c5ccc6c(c5)C(c5ccccc5)(c5cccc(-c7ccccc7)c5)c5ccccc5-6)ccc4c4ccc5ccccc5c43)c2)cc1.
What is the InChIKey of N-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine?
The InChIKey is NXFCEAUDQQISLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2/c1-5-19-45(20-6-1)48-24-17-28-51(41-48)65(50-26-9-3-10-27-50)61-34-16-15-33-57(61)58-39-36-54(43-62(58)65)66(52-29-11-4-12-30-52)55-37-40-59-60-38-35-47-23-13-14-32-56(47)64(60)67(63(59)44-55)53-31-18-25-49(42-53)46-21-7-2-8-22-46/h1-44H.
What are the key properties of N-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine?
N-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine has a molecular weight of 853.08 g/mol, XLogP of 17.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine is sourced from PubChem (CID 166503654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).