11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine

C49H35N — CID 164774904

IUPAC11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine
SMILESCC1(C)c2ccc(N(c3ccc4ccccc4c3-c3ccc4ccccc4c3)c3cccc4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C49H35N/c1-49(2)44-26-25-39(31-43(44)42-29-36-16-5-6-17-37(36)30-45(42)49)50(46-21-11-18-33-13-7-9-19-40(33)46)47-27-24-34-14-8-10-20-41(34)48(47)38-23-22-32-12-3-4-15-35(32)28-38/h3-31H,1-2H3
InChIKeyLGKFXQXLPJHETM-UHFFFAOYSA-N
MW637.83 g/mol
LogP13.74
Rot. Bonds4

About 11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine

11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine (PubChem CID 164774904) has the molecular formula C49H35N and a molecular weight of 637.83 g/mol. Its IUPAC name is 11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine.

Molecular Properties

Compound Name11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine
PubChem CID164774904
Molecular FormulaC49H35N
Molecular Weight637.83 g/mol
Exact Mass637.28
IUPAC Name11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine
SMILESCC1(C)c2ccc(N(c3ccc4ccccc4c3-c3ccc4ccccc4c3)c3cccc4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C49H35N/c1-49(2)44-26-25-39(31-43(44)42-29-36-16-5-6-17-37(36)30-45(42)49)50(46-21-11-18-33-13-7-9-19-40(33)46)47-27-24-34-14-8-10-20-41(34)48(47)38-23-22-32-12-3-4-15-35(32)28-38/h3-31H,1-2H3
InChIKeyLGKFXQXLPJHETM-UHFFFAOYSA-N
XLogP13.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.83
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine with MolForge

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Related Compounds

11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine;11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine;11,11-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine;11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-phenanthren-9-ylbenzo[b]fluoren-3-amine
CID 165014887
N-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine
CID 164774715
N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 164774642
11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 164774857
11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylbenzo[b]fluoren-4-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[b]fluoren-4-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[b]fluoren-4-amine
CID 164971638
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168801947
9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
CID 164774413
9,9-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170417611
N-naphthalen-1-yl-1-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 164774057
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168802268
N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine
CID 164774397
9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine
CID 169039849

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine?
The IUPAC name of 11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine (CID 164774904) is 11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine.
What is the SMILES notation for 11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine?
The canonical SMILES for 11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine is CC1(C)c2ccc(N(c3ccc4ccccc4c3-c3ccc4ccccc4c3)c3cccc4ccccc34)cc2-c2cc3ccccc3cc21.
What is the InChIKey of 11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine?
The InChIKey is LGKFXQXLPJHETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N/c1-49(2)44-26-25-39(31-43(44)42-29-36-16-5-6-17-37(36)30-45(42)49)50(46-21-11-18-33-13-7-9-19-40(33)46)47-27-24-34-14-8-10-20-41(34)48(47)38-23-22-32-12-3-4-15-35(32)28-38/h3-31H,1-2H3.
What are the key properties of 11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine?
11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine has a molecular weight of 637.83 g/mol, XLogP of 13.74, 4 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-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine is sourced from PubChem (CID 164774904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).