3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[b]naphthalen-2-amine

C47H35N — CID 164744460

IUPAC3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[b]naphthalen-2-amine
SMILESCC1(C)C(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)=Cc2cc3ccccc3cc21
InChIInChI=1S/C47H35N/c1-47(2)45-30-39-14-8-7-13-38(39)29-42(45)31-46(47)48(43-23-19-34(20-24-43)40-17-15-32-9-3-5-11-36(32)27-40)44-25-21-35(22-26-44)41-18-16-33-10-4-6-12-37(33)28-41/h3-31H,1-2H3
InChIKeyYRBFCMPBPWJXIH-UHFFFAOYSA-N
MW613.80 g/mol
LogP12.95
Rot. Bonds5

About 3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[b]naphthalen-2-amine

3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[b]naphthalen-2-amine (PubChem CID 164744460) has the molecular formula C47H35N and a molecular weight of 613.80 g/mol. Its IUPAC name is 3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[b]naphthalen-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[b]naphthalen-2-amine
PubChem CID164744460
Molecular FormulaC47H35N
Molecular Weight613.80 g/mol
Exact Mass613.28
IUPAC Name3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[b]naphthalen-2-amine
SMILESCC1(C)C(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)=Cc2cc3ccccc3cc21
InChIInChI=1S/C47H35N/c1-47(2)45-30-39-14-8-7-13-38(39)29-42(45)31-46(47)48(43-23-19-34(20-24-43)40-17-15-32-9-3-5-11-36(32)27-40)44-25-21-35(22-26-44)41-18-16-33-10-4-6-12-37(33)28-41/h3-31H,1-2H3
InChIKeyYRBFCMPBPWJXIH-UHFFFAOYSA-N
XLogP12.95
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 ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[a]naphthalen-2-amine
CID 164744571
N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 164744877
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine
CID 164744757
N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 90365679
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 90365672
1,1-dimethyl-N,N-bis[4-(4-naphthalen-2-ylphenyl)phenyl]inden-5-amine
CID 164744618
N-[4-(4-methylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 145442294
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline
CID 145077482
6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 121419333
9,9-dimethyl-6-naphthalen-2-yl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 130250393
N-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 164744580

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[b]naphthalen-2-amine?
The IUPAC name of 3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[b]naphthalen-2-amine (CID 164744460) is 3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[b]naphthalen-2-amine.
What is the SMILES notation for 3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[b]naphthalen-2-amine?
The canonical SMILES for 3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[b]naphthalen-2-amine is CC1(C)C(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)=Cc2cc3ccccc3cc21.
What is the InChIKey of 3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[b]naphthalen-2-amine?
The InChIKey is YRBFCMPBPWJXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N/c1-47(2)45-30-39-14-8-7-13-38(39)29-42(45)31-46(47)48(43-23-19-34(20-24-43)40-17-15-32-9-3-5-11-36(32)27-40)44-25-21-35(22-26-44)41-18-16-33-10-4-6-12-37(33)28-41/h3-31H,1-2H3.
What are the key properties of 3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[b]naphthalen-2-amine?
3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[b]naphthalen-2-amine has a molecular weight of 613.80 g/mol, XLogP of 12.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[b]naphthalen-2-amine is sourced from PubChem (CID 164744460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).