7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine

C53H39N — CID 167232547

IUPAC7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine
SMILESCC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc3cccc1c23
InChIInChI=1S/C53H39N/c1-53(2)48-19-11-18-41-27-33-50(52(51(41)48)47-32-26-44(35-49(47)53)43-21-20-38-16-9-10-17-42(38)34-43)54(45-28-22-39(23-29-45)36-12-5-3-6-13-36)46-30-24-40(25-31-46)37-14-7-4-8-15-37/h3-35H,1-2H3
InChIKeyVFQKCDQRWSLFOG-UHFFFAOYSA-N
MW689.90 g/mol
LogP14.77
Rot. Bonds6

About 7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine

7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine (PubChem CID 167232547) has the molecular formula C53H39N and a molecular weight of 689.90 g/mol. Its IUPAC name is 7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine.

Molecular Properties

Compound Name7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine
PubChem CID167232547
Molecular FormulaC53H39N
Molecular Weight689.90 g/mol
Exact Mass689.31
IUPAC Name7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine
SMILESCC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc3cccc1c23
InChIInChI=1S/C53H39N/c1-53(2)48-19-11-18-41-27-33-50(52(51(41)48)47-32-26-44(35-49(47)53)43-21-20-38-16-9-10-17-42(38)34-43)54(45-28-22-39(23-29-45)36-12-5-3-6-13-36)46-30-24-40(25-31-46)37-14-7-4-8-15-37/h3-35H,1-2H3
InChIKeyVFQKCDQRWSLFOG-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.90
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(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
N-(7,7-dimethyl-9-phenylbenzo[a]phenalen-1-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232118
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine
CID 139498825
7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232212
7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232111
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
N-[4-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine
CID 167232369
7,7-dimethyl-9-phenanthren-9-yl-N,N-diphenylbenzo[a]phenalen-1-amine
CID 167232260
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine?
The IUPAC name of 7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine (CID 167232547) is 7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine.
What is the SMILES notation for 7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine?
The canonical SMILES for 7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine is CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc3cccc1c23.
What is the InChIKey of 7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine?
The InChIKey is VFQKCDQRWSLFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N/c1-53(2)48-19-11-18-41-27-33-50(52(51(41)48)47-32-26-44(35-49(47)53)43-21-20-38-16-9-10-17-42(38)34-43)54(45-28-22-39(23-29-45)36-12-5-3-6-13-36)46-30-24-40(25-31-46)37-14-7-4-8-15-37/h3-35H,1-2H3.
What are the key properties of 7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine?
7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine has a molecular weight of 689.90 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine is sourced from PubChem (CID 167232547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).