11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine

C47H41N — CID 163620727

IUPAC11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C(C)(C)C(C)(C)c3ccccc3-4)c3ccc4ccccc4c3)cc3ccccc3c21
InChIInChI=1S/C47H41N/c1-45(2)39-21-13-12-20-38(39)43-42(28-32-17-9-10-18-35(32)44(43)45)48(33-24-23-30-15-7-8-16-31(30)27-33)34-25-26-37-36-19-11-14-22-40(36)46(3,4)47(5,6)41(37)29-34/h7-29H,1-6H3
InChIKeyDPACSSDULJGBPS-UHFFFAOYSA-N
MW619.85 g/mol
LogP13.00
Rot. Bonds3

About 11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine

11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine (PubChem CID 163620727) has the molecular formula C47H41N and a molecular weight of 619.85 g/mol. Its IUPAC name is 11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine.

Molecular Properties

Compound Name11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine
PubChem CID163620727
Molecular FormulaC47H41N
Molecular Weight619.85 g/mol
Exact Mass619.32
IUPAC Name11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C(C)(C)C(C)(C)c3ccccc3-4)c3ccc4ccccc4c3)cc3ccccc3c21
InChIInChI=1S/C47H41N/c1-45(2)39-21-13-12-20-38(39)43-42(28-32-17-9-10-18-35(32)44(43)45)48(33-24-23-30-15-7-8-16-31(30)27-33)34-25-26-37-36-19-11-14-22-40(36)46(3,4)47(5,6)41(37)29-34/h7-29H,1-6H3
InChIKeyDPACSSDULJGBPS-UHFFFAOYSA-N
XLogP13.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.85
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929570
N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine
CID 164929456
N-(9,9-dimethylfluoren-3-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929206
11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929259
N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine
CID 163449904
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine
CID 170373098
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167410938
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine
CID 163980978
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929479
N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929594
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-11,11-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]fluoren-6-amine
CID 164929576
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 170142242

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine?
The IUPAC name of 11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine (CID 163620727) is 11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine.
What is the SMILES notation for 11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine?
The canonical SMILES for 11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C(C)(C)C(C)(C)c3ccccc3-4)c3ccc4ccccc4c3)cc3ccccc3c21.
What is the InChIKey of 11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine?
The InChIKey is DPACSSDULJGBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H41N/c1-45(2)39-21-13-12-20-38(39)43-42(28-32-17-9-10-18-35(32)44(43)45)48(33-24-23-30-15-7-8-16-31(30)27-33)34-25-26-37-36-19-11-14-22-40(36)46(3,4)47(5,6)41(37)29-34/h7-29H,1-6H3.
What are the key properties of 11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine?
11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine has a molecular weight of 619.85 g/mol, XLogP of 13.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine is sourced from PubChem (CID 163620727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).