7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine

C47H35N — CID 167232157

IUPAC7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)cc2-c2c(-c3ccccc3)ccc3cccc1c23
InChIInChI=1S/C47H35N/c1-47(2)43-29-27-40(31-42(43)46-41(35-15-7-4-8-16-35)28-23-36-18-11-19-44(47)45(36)46)48(39-26-22-33-14-9-10-17-37(33)30-39)38-24-20-34(21-25-38)32-12-5-3-6-13-32/h3-31H,1-2H3
InChIKeyOJDWRBHBFZJBDU-UHFFFAOYSA-N
MW613.80 g/mol
LogP13.10
Rot. Bonds5

About 7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine

7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine (PubChem CID 167232157) 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-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine
PubChem CID167232157
Molecular FormulaC47H35N
Molecular Weight613.80 g/mol
Exact Mass613.28
IUPAC Name7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)cc2-c2c(-c3ccccc3)ccc3cccc1c23
InChIInChI=1S/C47H35N/c1-47(2)43-29-27-40(31-42(43)46-41(35-15-7-4-8-16-35)28-23-36-18-11-19-44(47)45(36)46)48(39-26-22-33-14-9-10-17-37(33)30-39)38-24-20-34(21-25-38)32-12-5-3-6-13-32/h3-31H,1-2H3
InChIKeyOJDWRBHBFZJBDU-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-1-naphthalen-2-yl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine
CID 167232049
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine
CID 169039700
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167232152
N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232505
7,7-dimethyl-1-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]phenalen-9-amine
CID 167232028
9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine
CID 169039849
7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232111
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019813
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417688
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168788554

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine?
The IUPAC name of 7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine (CID 167232157) is 7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine.
What is the SMILES notation for 7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine?
The canonical SMILES for 7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine is CC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)cc2-c2c(-c3ccccc3)ccc3cccc1c23.
What is the InChIKey of 7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine?
The InChIKey is OJDWRBHBFZJBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N/c1-47(2)43-29-27-40(31-42(43)46-41(35-15-7-4-8-16-35)28-23-36-18-11-19-44(47)45(36)46)48(39-26-22-33-14-9-10-17-37(33)30-39)38-24-20-34(21-25-38)32-12-5-3-6-13-32/h3-31H,1-2H3.
What are the key properties of 7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine?
7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-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-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine is sourced from PubChem (CID 167232157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).