N-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine

C55H46N2 — CID 163980978

IUPACN-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C(C)(C)C(C)(C)c3ccccc3-4)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc3ccccc3c21
InChIInChI=1S/C55H46N2/c1-53(2)44-27-15-13-25-43(44)50-49(33-35-19-10-11-22-38(35)51(50)53)56(37-31-32-40-39-23-12-16-28-45(39)54(3,4)55(5,6)46(40)34-37)48-30-18-26-42-41-24-14-17-29-47(41)57(52(42)48)36-20-8-7-9-21-36/h7-34H,1-6H3
InChIKeyZSSALFOMRPXZQG-UHFFFAOYSA-N
MW734.99 g/mol
LogP14.95
Rot. Bonds4

About N-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine

N-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine (PubChem CID 163980978) has the molecular formula C55H46N2 and a molecular weight of 734.99 g/mol. Its IUPAC name is N-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine.

Molecular Properties

Compound NameN-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine
PubChem CID163980978
Molecular FormulaC55H46N2
Molecular Weight734.99 g/mol
Exact Mass734.37
IUPAC NameN-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C(C)(C)C(C)(C)c3ccccc3-4)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc3ccccc3c21
InChIInChI=1S/C55H46N2/c1-53(2)44-27-15-13-25-43(44)50-49(33-35-19-10-11-22-38(35)51(50)53)56(37-31-32-40-39-23-12-16-28-45(39)54(3,4)55(5,6)46(40)34-37)48-30-18-26-42-41-24-14-17-29-47(41)57(52(42)48)36-20-8-7-9-21-36/h7-34H,1-6H3
InChIKeyZSSALFOMRPXZQG-UHFFFAOYSA-N
XLogP14.95
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.99
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(11,11-diphenylbenzo[b]fluoren-5-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine
CID 163603938
11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine
CID 163620727
N-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine
CID 138549073
N-(9,9-dimethylfluoren-3-yl)-N,9-diphenylcarbazol-1-amine
CID 155004339
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine
CID 139568156
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119634
N-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine
CID 177097181
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177080212
N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119206
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-1-amine
CID 177080037
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929320
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168790284

Frequently Asked Questions

What is the IUPAC name of N-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine?
The IUPAC name of N-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine (CID 163980978) is N-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine.
What is the SMILES notation for N-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine?
The canonical SMILES for N-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C(C)(C)C(C)(C)c3ccccc3-4)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc3ccccc3c21.
What is the InChIKey of N-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine?
The InChIKey is ZSSALFOMRPXZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H46N2/c1-53(2)44-27-15-13-25-43(44)50-49(33-35-19-10-11-22-38(35)51(50)53)56(37-31-32-40-39-23-12-16-28-45(39)54(3,4)55(5,6)46(40)34-37)48-30-18-26-42-41-24-14-17-29-47(41)57(52(42)48)36-20-8-7-9-21-36/h7-34H,1-6H3.
What are the key properties of N-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine?
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine has a molecular weight of 734.99 g/mol, XLogP of 14.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine is sourced from PubChem (CID 163980978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).