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

C62H41N — CID 169064579

IUPACN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)cc3)c3cc4ccccc4c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C62H41N/c1-4-18-43(19-5-1)50-38-39-59(55-29-15-12-27-52(50)55)63(60-41-47-24-10-11-25-49(47)51-26-13-16-30-56(51)60)48-35-32-42(33-36-48)46-34-37-54-53-28-14-17-31-57(53)61(44-20-6-2-7-21-44)62(58(54)40-46)45-22-8-3-9-23-45/h1-41H
InChIKeyVTQBHWRTWNFCJP-UHFFFAOYSA-N
MW800.02 g/mol
LogP17.59
Rot. Bonds7

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

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine (PubChem CID 169064579) has the molecular formula C62H41N and a molecular weight of 800.02 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine
PubChem CID169064579
Molecular FormulaC62H41N
Molecular Weight800.02 g/mol
Exact Mass799.32
IUPAC NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)cc3)c3cc4ccccc4c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C62H41N/c1-4-18-43(19-5-1)50-38-39-59(55-29-15-12-27-52(50)55)63(60-41-47-24-10-11-25-49(47)51-26-13-16-30-56(51)60)48-35-32-42(33-36-48)46-34-37-54-53-28-14-17-31-57(53)61(44-20-6-2-7-21-44)62(58(54)40-46)45-22-8-3-9-23-45/h1-41H
InChIKeyVTQBHWRTWNFCJP-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-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-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
CID 169064130
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
CID 169062488
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine
CID 169062894
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline
CID 169063064
N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 164529185
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 169063067
4-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 169064723
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
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 156578695

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine (CID 169064579) is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)cc3)c3cc4ccccc4c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine?
The InChIKey is VTQBHWRTWNFCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N/c1-4-18-43(19-5-1)50-38-39-59(55-29-15-12-27-52(50)55)63(60-41-47-24-10-11-25-49(47)51-26-13-16-30-56(51)60)48-35-32-42(33-36-48)46-34-37-54-53-28-14-17-31-57(53)61(44-20-6-2-7-21-44)62(58(54)40-46)45-22-8-3-9-23-45/h1-41H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine?
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-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-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine is sourced from PubChem (CID 169064579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).