N-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine

C56H37N — CID 169065327

IUPACN-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cc4ccccc4c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C56H37N/c1-4-18-38(19-5-1)44-34-35-53(49-29-15-12-27-46(44)49)57(54-36-41-24-10-11-25-43(41)45-26-13-16-30-50(45)54)42-32-33-48-47-28-14-17-31-51(47)55(39-20-6-2-7-21-39)56(52(48)37-42)40-22-8-3-9-23-40/h1-37H
InChIKeyWYOCBGXMWSROAV-UHFFFAOYSA-N
MW723.92 g/mol
LogP15.92
Rot. Bonds6

About N-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine

N-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine (PubChem CID 169065327) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is N-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine
PubChem CID169065327
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC NameN-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cc4ccccc4c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C56H37N/c1-4-18-38(19-5-1)44-34-35-53(49-29-15-12-27-46(44)49)57(54-36-41-24-10-11-25-43(41)45-26-13-16-30-50(45)54)42-32-33-48-47-28-14-17-31-51(47)55(39-20-6-2-7-21-39)56(52(48)37-42)40-22-8-3-9-23-40/h1-37H
InChIKeyWYOCBGXMWSROAV-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 515.92
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-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine
CID 169064579
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
CID 169064130
N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 163910164
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-(2-phenylphenyl)-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-yl]phenanthren-9-amine
CID 157359441
N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine
CID 169063231
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine
CID 169062597
N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 164529185
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 169064123
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine
CID 169062894
6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 159775531
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
CID 169062488
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-yldibenzothiophen-2-amine
CID 169062364

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine?
The IUPAC name of N-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine (CID 169065327) is N-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine.
What is the SMILES notation for N-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine?
The canonical SMILES for N-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cc4ccccc4c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of N-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine?
The InChIKey is WYOCBGXMWSROAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-4-18-38(19-5-1)44-34-35-53(49-29-15-12-27-46(44)49)57(54-36-41-24-10-11-25-43(41)45-26-13-16-30-50(45)54)42-32-33-48-47-28-14-17-31-51(47)55(39-20-6-2-7-21-39)56(52(48)37-42)40-22-8-3-9-23-40/h1-37H.
What are the key properties of N-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine?
N-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine has a molecular weight of 723.92 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine is sourced from PubChem (CID 169065327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).