7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine

C43H33N — CID 167232212

IUPAC7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc3cccc1c23
InChIInChI=1S/C43H33N/c1-43(2)38-27-23-34(31-15-8-4-9-16-31)29-37(38)42-40(28-24-33-17-12-20-39(43)41(33)42)44(35-18-10-5-11-19-35)36-25-21-32(22-26-36)30-13-6-3-7-14-30/h3-29H,1-2H3
InChIKeyRBABTTKLWLDFJF-UHFFFAOYSA-N
MW563.74 g/mol
LogP11.95
Rot. Bonds5

About 7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine

7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine (PubChem CID 167232212) has the molecular formula C43H33N and a molecular weight of 563.74 g/mol. Its IUPAC name is 7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine.

Molecular Properties

Compound Name7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
PubChem CID167232212
Molecular FormulaC43H33N
Molecular Weight563.74 g/mol
Exact Mass563.26
IUPAC Name7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc3cccc1c23
InChIInChI=1S/C43H33N/c1-43(2)38-27-23-34(31-15-8-4-9-16-31)29-37(38)42-40(28-24-33-17-12-20-39(43)41(33)42)44(35-18-10-5-11-19-35)36-25-21-32(22-26-36)30-13-6-3-7-14-30/h3-29H,1-2H3
InChIKeyRBABTTKLWLDFJF-UHFFFAOYSA-N
XLogP11.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine with MolForge

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Related Compounds

7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
CID 167232078
N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine
CID 167232083
7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232547
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)-10-phenylbenzo[a]phenalen-1-amine
CID 167232240
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine
CID 139498825
N-(7,7-dimethyl-9-phenylbenzo[a]phenalen-1-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232118
N-(2,4-dinaphthalen-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 155181697
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
CID 167232102
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 155181875
7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232111
N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232339
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline
CID 169039821

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine?
The IUPAC name of 7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine (CID 167232212) is 7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine.
What is the SMILES notation for 7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine?
The canonical SMILES for 7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine is CC1(C)c2ccc(-c3ccccc3)cc2-c2c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc3cccc1c23.
What is the InChIKey of 7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine?
The InChIKey is RBABTTKLWLDFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N/c1-43(2)38-27-23-34(31-15-8-4-9-16-31)29-37(38)42-40(28-24-33-17-12-20-39(43)41(33)42)44(35-18-10-5-11-19-35)36-25-21-32(22-26-36)30-13-6-3-7-14-30/h3-29H,1-2H3.
What are the key properties of 7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine?
7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine has a molecular weight of 563.74 g/mol, XLogP of 11.95, 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,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine is sourced from PubChem (CID 167232212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).