N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine

C54H37N — CID 172501021

IUPACN-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3ccc4ccccc4c3)c2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C54H37N/c1-2-18-39(19-3-1)45-24-8-9-26-47(45)49-28-10-11-29-50(49)51-30-14-15-32-53(51)55(54-37-43-21-6-7-25-46(43)48-27-12-13-31-52(48)54)44-23-16-22-41(36-44)42-34-33-38-17-4-5-20-40(38)35-42/h1-37H
InChIKeyPBLLLMALUVPPPJ-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

About N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine

N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine (PubChem CID 172501021) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
PubChem CID172501021
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC NameN-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3ccc4ccccc4c3)c2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C54H37N/c1-2-18-39(19-3-1)45-24-8-9-26-47(45)49-28-10-11-29-50(49)51-30-14-15-32-53(51)55(54-37-43-21-6-7-25-46(43)48-27-12-13-31-52(48)54)44-23-16-22-41(36-44)42-34-33-38-17-4-5-20-40(38)35-42/h1-37H
InChIKeyPBLLLMALUVPPPJ-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 515.28
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-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172502552
N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163909892
N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
CID 155303616
N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502158
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 172502888
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501217
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 121477659
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788963
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501953
N-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172502818
N-(4-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
N,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine
CID 142614539

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine (CID 172501021) is N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine.
What is the SMILES notation for N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The canonical SMILES for N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3ccc4ccccc4c3)c2)c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The InChIKey is PBLLLMALUVPPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-2-18-39(19-3-1)45-24-8-9-26-47(45)49-28-10-11-29-50(49)51-30-14-15-32-53(51)55(54-37-43-21-6-7-25-46(43)48-27-12-13-31-52(48)54)44-23-16-22-41(36-44)42-34-33-38-17-4-5-20-40(38)35-42/h1-37H.
What are the key properties of N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine has a molecular weight of 699.90 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 172501021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).