N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine

C42H29N — CID 155304299

IUPACN-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C42H29N/c1-3-13-30(14-4-1)32-23-26-35(27-24-32)43(36-28-25-31-15-7-8-18-34(31)29-36)42-40-22-12-10-20-38(40)37-19-9-11-21-39(37)41(42)33-16-5-2-6-17-33/h1-29H
InChIKeyIWNVLEHDICZURJ-UHFFFAOYSA-N
MW547.70 g/mol
LogP11.95
Rot. Bonds5

About N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine

N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine (PubChem CID 155304299) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine
PubChem CID155304299
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC NameN-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C42H29N/c1-3-13-30(14-4-1)32-23-26-35(27-24-32)43(36-28-25-31-15-7-8-18-34(31)29-36)42-40-22-12-10-20-38(40)37-19-9-11-21-39(37)41(42)33-16-5-2-6-17-33/h1-29H
InChIKeyIWNVLEHDICZURJ-UHFFFAOYSA-N
XLogP11.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 511.95
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

10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304970
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
CID 155303813
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
CID 155304881
10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304643
N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
CID 155303461
10-methyl-N-naphthalen-2-yl-N-(4-phenylphenyl)anthracen-9-amine
CID 143494684
N,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine
CID 155304286
8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine
CID 89178016
N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062685
2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine
CID 90194200

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine (CID 155304299) is N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine?
The InChIKey is IWNVLEHDICZURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-3-13-30(14-4-1)32-23-26-35(27-24-32)43(36-28-25-31-15-7-8-18-34(31)29-36)42-40-22-12-10-20-38(40)37-19-9-11-21-39(37)41(42)33-16-5-2-6-17-33/h1-29H.
What are the key properties of N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine?
N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine has a molecular weight of 547.70 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 N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155304299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).