N-[4-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine

C55H39N — CID 167232369

IUPACN-[4-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine
SMILESCC1(C)c2cc(-c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)ccc2-c2c(-c3ccc4ccccc4c3)ccc3cccc1c23
InChIInChI=1S/C55H39N/c1-55(2)50-22-12-16-38-27-31-46(42-24-23-36-13-6-7-14-39(36)33-42)54(53(38)50)49-32-28-40(34-51(49)55)37-25-29-44(30-26-37)56(43-17-4-3-5-18-43)52-35-41-15-8-9-19-45(41)47-20-10-11-21-48(47)52/h3-35H,1-2H3
InChIKeyIOYBBDQEUUHRIA-UHFFFAOYSA-N
MW713.92 g/mol
LogP15.41
Rot. Bonds5

About N-[4-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine

N-[4-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine (PubChem CID 167232369) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is N-[4-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine
PubChem CID167232369
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC NameN-[4-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine
SMILESCC1(C)c2cc(-c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)ccc2-c2c(-c3ccc4ccccc4c3)ccc3cccc1c23
InChIInChI=1S/C55H39N/c1-55(2)50-22-12-16-38-27-31-46(42-24-23-36-13-6-7-14-39(36)33-42)54(53(38)50)49-32-28-40(34-51(49)55)37-25-29-44(30-26-37)56(43-17-4-3-5-18-43)52-35-41-15-8-9-19-45(41)47-20-10-11-21-48(47)52/h3-35H,1-2H3
InChIKeyIOYBBDQEUUHRIA-UHFFFAOYSA-N
XLogP15.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.92
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenanthren-9-amine
CID 134464885
7,7-dimethyl-9-phenanthren-9-yl-N,N-diphenylbenzo[a]phenalen-1-amine
CID 167232260
N-(9,9-dimethylfluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 134464876
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine
CID 118428477
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)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine
CID 134464834
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-ylaniline
CID 166566679
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
N-(9,9-dimethylfluoren-2-yl)-N-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenanthren-9-amine
CID 134464828
9,9-dimethyl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-2-N-phenanthren-9-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-7-N-phenyl-2-N-(4-phenylphenyl)-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 162265706
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 155305035
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 118428440

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine?
The IUPAC name of N-[4-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine (CID 167232369) is N-[4-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine.
What is the SMILES notation for N-[4-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine?
The canonical SMILES for N-[4-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine is CC1(C)c2cc(-c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)ccc2-c2c(-c3ccc4ccccc4c3)ccc3cccc1c23.
What is the InChIKey of N-[4-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine?
The InChIKey is IOYBBDQEUUHRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N/c1-55(2)50-22-12-16-38-27-31-46(42-24-23-36-13-6-7-14-39(36)33-42)54(53(38)50)49-32-28-40(34-51(49)55)37-25-29-44(30-26-37)56(43-17-4-3-5-18-43)52-35-41-15-8-9-19-45(41)47-20-10-11-21-48(47)52/h3-35H,1-2H3.
What are the key properties of N-[4-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine?
N-[4-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine has a molecular weight of 713.92 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,7-dimethyl-1-naphthalen-2-ylbenzo[a]phenalen-9-yl)phenyl]-N-phenylphenanthren-9-amine is sourced from PubChem (CID 167232369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).