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

C47H35N — CID 164744571

IUPAC3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[a]naphthalen-2-amine
SMILESCC1(C)C(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)=Cc2c1ccc1ccccc21
InChIInChI=1S/C47H35N/c1-47(2)45-28-23-36-11-7-8-14-43(36)44(45)31-46(47)48(41-24-19-34(20-25-41)39-17-15-32-9-3-5-12-37(32)29-39)42-26-21-35(22-27-42)40-18-16-33-10-4-6-13-38(33)30-40/h3-31H,1-2H3
InChIKeyMFRFNUCGADRNMP-UHFFFAOYSA-N
MW613.80 g/mol
LogP12.95
Rot. Bonds5

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

3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[a]naphthalen-2-amine (PubChem CID 164744571) 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[a]naphthalen-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[a]naphthalen-2-amine
PubChem CID164744571
Molecular FormulaC47H35N
Molecular Weight613.80 g/mol
Exact Mass613.28
IUPAC Name3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[a]naphthalen-2-amine
SMILESCC1(C)C(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)=Cc2c1ccc1ccccc21
InChIInChI=1S/C47H35N/c1-47(2)45-28-23-36-11-7-8-14-43(36)44(45)31-46(47)48(41-24-19-34(20-25-41)39-17-15-32-9-3-5-12-37(32)29-39)42-26-21-35(22-27-42)40-18-16-33-10-4-6-13-38(33)30-40/h3-31H,1-2H3
InChIKeyMFRFNUCGADRNMP-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[b]naphthalen-2-amine
CID 164744460
N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 164744877
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170675874
N-[4-(4-methylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 145442294
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-3-amine
CID 170139772
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-phenylfluoren-2-amine;N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine;N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159070020
9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 162172541
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020471
9,9-dimethyl-7-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050496
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169019753
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[a]naphthalen-2-amine?
The IUPAC name of 3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[a]naphthalen-2-amine (CID 164744571) is 3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[a]naphthalen-2-amine.
What is the SMILES notation for 3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[a]naphthalen-2-amine?
The canonical SMILES for 3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[a]naphthalen-2-amine is CC1(C)C(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)=Cc2c1ccc1ccccc21.
What is the InChIKey of 3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[a]naphthalen-2-amine?
The InChIKey is MFRFNUCGADRNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N/c1-47(2)45-28-23-36-11-7-8-14-43(36)44(45)31-46(47)48(41-24-19-34(20-25-41)39-17-15-32-9-3-5-12-37(32)29-39)42-26-21-35(22-27-42)40-18-16-33-10-4-6-13-38(33)30-40/h3-31H,1-2H3.
What are the key properties of 3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[a]naphthalen-2-amine?
3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[a]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[a]naphthalen-2-amine is sourced from PubChem (CID 164744571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).