N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine

C62H41N — CID 169064130

IUPACN-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cc5ccccc5c5ccccc45)ccc3c3ccccc23)cc1
InChIInChI=1S/C62H41N/c1-3-17-46(18-4-1)61-58-28-14-12-26-55(58)56-39-38-50(41-59(56)62(61)47-19-5-2-6-20-47)63(60-40-48-21-8-10-24-53(48)54-25-11-13-27-57(54)60)49-36-34-43(35-37-49)42-30-32-45(33-31-42)52-29-15-22-44-16-7-9-23-51(44)52/h1-41H
InChIKeyIHXCBXCMADEKEL-UHFFFAOYSA-N
MW800.02 g/mol
LogP17.59
Rot. Bonds7

About N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine (PubChem CID 169064130) has the molecular formula C62H41N and a molecular weight of 800.02 g/mol. Its IUPAC name is N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine.

Molecular Properties

Compound NameN-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
PubChem CID169064130
Molecular FormulaC62H41N
Molecular Weight800.02 g/mol
Exact Mass799.32
IUPAC NameN-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cc5ccccc5c5ccccc45)ccc3c3ccccc23)cc1
InChIInChI=1S/C62H41N/c1-3-17-46(18-4-1)61-58-28-14-12-26-55(58)56-39-38-50(41-59(56)62(61)47-19-5-2-6-20-47)63(60-40-48-21-8-10-24-53(48)54-25-11-13-27-57(54)60)49-36-34-43(35-37-49)42-30-32-45(33-31-42)52-29-15-22-44-16-7-9-23-51(44)52/h1-41H
InChIKeyIHXCBXCMADEKEL-UHFFFAOYSA-N
XLogP17.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.02
LogP ≤ 517.59
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-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-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
CID 169062488
N-(4-naphthalen-1-ylphenyl)-3-(8-phenylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine;3-(8-phenylnaphthalen-1-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-3-(10-phenylphenanthren-9-yl)aniline
CID 161303851
N-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine
CID 169065327
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-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine
CID 169064579
4-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 169064723
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 139352901
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062420
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324
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-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063182

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine?
The IUPAC name of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine (CID 169064130) is N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine.
What is the SMILES notation for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine?
The canonical SMILES for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine is c1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cc5ccccc5c5ccccc45)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine?
The InChIKey is IHXCBXCMADEKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N/c1-3-17-46(18-4-1)61-58-28-14-12-26-55(58)56-39-38-50(41-59(56)62(61)47-19-5-2-6-20-47)63(60-40-48-21-8-10-24-53(48)54-25-11-13-27-57(54)60)49-36-34-43(35-37-49)42-30-32-45(33-31-42)52-29-15-22-44-16-7-9-23-51(44)52/h1-41H.
What are the key properties of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine?
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine has a molecular weight of 800.02 g/mol, XLogP of 17.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine is sourced from PubChem (CID 169064130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).