7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine

C47H35N — CID 167232111

IUPAC7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
SMILESCC1(C)c2c(-c3ccccc3)cccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)ccc3cccc1c23
InChIInChI=1S/C47H35N/c1-47(2)42-22-11-19-36-26-30-43(45(44(36)42)41-21-12-20-40(46(41)47)35-16-7-4-8-17-35)48(39-29-25-33-15-9-10-18-37(33)31-39)38-27-23-34(24-28-38)32-13-5-3-6-14-32/h3-31H,1-2H3
InChIKeyJTNCWRFOWFXXBZ-UHFFFAOYSA-N
MW613.80 g/mol
LogP13.10
Rot. Bonds5

About 7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine

7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine (PubChem CID 167232111) has the molecular formula C47H35N and a molecular weight of 613.80 g/mol. Its IUPAC name is 7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
PubChem CID167232111
Molecular FormulaC47H35N
Molecular Weight613.80 g/mol
Exact Mass613.28
IUPAC Name7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
SMILESCC1(C)c2c(-c3ccccc3)cccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)ccc3cccc1c23
InChIInChI=1S/C47H35N/c1-47(2)42-22-11-19-36-26-30-43(45(44(36)42)41-21-12-20-40(46(41)47)35-16-7-4-8-17-35)48(39-29-25-33-15-9-10-18-37(33)31-39)38-27-23-34(24-28-38)32-13-5-3-6-14-32/h3-31H,1-2H3
InChIKeyJTNCWRFOWFXXBZ-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

N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
CID 167232102
7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232547
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168788393
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019813
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
CID 167232078
7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine
CID 167232157
N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine
CID 167232083
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790996
7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232212
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169020370
7,7-dimethyl-1-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]phenalen-9-amine
CID 167232028

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine?
The IUPAC name of 7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine (CID 167232111) is 7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine.
What is the SMILES notation for 7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine?
The canonical SMILES for 7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine is CC1(C)c2c(-c3ccccc3)cccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)ccc3cccc1c23.
What is the InChIKey of 7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine?
The InChIKey is JTNCWRFOWFXXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N/c1-47(2)42-22-11-19-36-26-30-43(45(44(36)42)41-21-12-20-40(46(41)47)35-16-7-4-8-17-35)48(39-29-25-33-15-9-10-18-37(33)31-39)38-27-23-34(24-28-38)32-13-5-3-6-14-32/h3-31H,1-2H3.
What are the key properties of 7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine?
7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-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 7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine is sourced from PubChem (CID 167232111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).