9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine

C47H35N — CID 164774882

IUPAC9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cc21
InChIInChI=1S/C47H35N/c1-47(2)43-25-11-10-23-40(43)41-28-27-37(31-44(41)47)48(36-20-12-19-35(30-36)32-14-4-3-5-15-32)45-29-26-34-17-7-9-22-39(34)46(45)42-24-13-18-33-16-6-8-21-38(33)42/h3-31H,1-2H3
InChIKeyMMLFMOBVJXMVQC-UHFFFAOYSA-N
MW613.80 g/mol
LogP13.10
Rot. Bonds5

About 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine (PubChem CID 164774882) has the molecular formula C47H35N and a molecular weight of 613.80 g/mol. Its IUPAC name is 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
PubChem CID164774882
Molecular FormulaC47H35N
Molecular Weight613.80 g/mol
Exact Mass613.28
IUPAC Name9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cc21
InChIInChI=1S/C47H35N/c1-47(2)43-25-11-10-23-40(43)41-28-27-37(31-44(41)47)48(36-20-12-19-35(30-36)32-14-4-3-5-15-32)45-29-26-34-17-7-9-22-39(34)46(45)42-24-13-18-33-16-6-8-21-38(33)42/h3-31H,1-2H3
InChIKeyMMLFMOBVJXMVQC-UHFFFAOYSA-N
XLogP13.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.80
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)fluoren-2-amine
CID 164774447
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine
CID 164774109
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine
CID 176611821
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732
11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine
CID 164774770
3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286747
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenylphenanthren-3-yl)phenyl]fluoren-2-amine
CID 138743065
9,9-dimethyl-N-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 164774638
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)-10-phenylbenzo[a]phenalen-1-amine
CID 167232240
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
CID 170139798
9,9-dimethyl-N-(3-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293406
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 159060283

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine (CID 164774882) is 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cc21.
What is the InChIKey of 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine?
The InChIKey is MMLFMOBVJXMVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N/c1-47(2)43-25-11-10-23-40(43)41-28-27-37(31-44(41)47)48(36-20-12-19-35(30-36)32-14-4-3-5-15-32)45-29-26-34-17-7-9-22-39(34)46(45)42-24-13-18-33-16-6-8-21-38(33)42/h3-31H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine has a molecular weight of 613.80 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 164774882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).