N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine

C60H39N — CID 169062597

IUPACN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccccc4N(c4cc5ccccc5c5ccccc45)c4cc5ccccc5c5ccccc45)ccc3c3ccccc23)cc1
InChIInChI=1S/C60H39N/c1-3-19-40(20-4-1)59-54-33-16-13-30-50(54)51-36-35-44(37-55(51)60(59)41-21-5-2-6-22-41)47-27-17-18-34-56(47)61(57-38-42-23-7-9-25-45(42)48-28-11-14-31-52(48)57)58-39-43-24-8-10-26-46(43)49-29-12-15-32-53(49)58/h1-39H
InChIKeyVWXHRBSYIGWDBZ-UHFFFAOYSA-N
MW773.98 g/mol
LogP17.08
Rot. Bonds6

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

N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine (PubChem CID 169062597) has the molecular formula C60H39N and a molecular weight of 773.98 g/mol. Its IUPAC name is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine.

Molecular Properties

Compound NameN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine
PubChem CID169062597
Molecular FormulaC60H39N
Molecular Weight773.98 g/mol
Exact Mass773.31
IUPAC NameN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccccc4N(c4cc5ccccc5c5ccccc45)c4cc5ccccc5c5ccccc45)ccc3c3ccccc23)cc1
InChIInChI=1S/C60H39N/c1-3-19-40(20-4-1)59-54-33-16-13-30-50(54)51-36-35-44(37-55(51)60(59)41-21-5-2-6-22-41)47-27-17-18-34-56(47)61(57-38-42-23-7-9-25-45(42)48-28-11-14-31-52(48)57)58-39-43-24-8-10-26-46(43)49-29-12-15-32-53(49)58/h1-39H
InChIKeyVWXHRBSYIGWDBZ-UHFFFAOYSA-N
XLogP17.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.98
LogP ≤ 517.08
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-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine
CID 169062894
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-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-2,4-diphenyl-N-(2-phenylphenyl)aniline
CID 169065535
N-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172502818
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-1-amine
CID 169063864
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine
CID 169064579
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-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine
CID 169064136
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
CID 169064130
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine
CID 169062758
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-1-amine
CID 169064063
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-1-yldibenzothiophen-3-amine
CID 169063310

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine?
The IUPAC name of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine (CID 169062597) is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine.
What is the SMILES notation for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine?
The canonical SMILES for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4ccccc4N(c4cc5ccccc5c5ccccc45)c4cc5ccccc5c5ccccc45)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine?
The InChIKey is VWXHRBSYIGWDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N/c1-3-19-40(20-4-1)59-54-33-16-13-30-50(54)51-36-35-44(37-55(51)60(59)41-21-5-2-6-22-41)47-27-17-18-34-56(47)61(57-38-42-23-7-9-25-45(42)48-28-11-14-31-52(48)57)58-39-43-24-8-10-26-46(43)49-29-12-15-32-53(49)58/h1-39H.
What are the key properties of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine?
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine has a molecular weight of 773.98 g/mol, XLogP of 17.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine is sourced from PubChem (CID 169062597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).