10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine

C54H37N — CID 155304970

IUPAC10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5c(-c6ccc7ccccc7c6)c6ccccc6c6ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H37N/c1-3-13-38(14-4-1)40-23-25-41(26-24-40)42-27-29-43(30-28-42)44-33-35-48(36-34-44)55(47-17-5-2-6-18-47)54-52-22-12-10-20-50(52)49-19-9-11-21-51(49)53(54)46-32-31-39-15-7-8-16-45(39)37-46/h1-37H
InChIKeyKAZQVNUXDZNEEO-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

About 10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine

10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine (PubChem CID 155304970) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is 10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine.

Molecular Properties

Compound Name10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
PubChem CID155304970
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC Name10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5c(-c6ccc7ccccc7c6)c6ccccc6c6ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H37N/c1-3-13-38(14-4-1)40-23-25-41(26-24-40)42-27-29-43(30-28-42)44-33-35-48(36-34-44)55(47-17-5-2-6-18-47)54-52-22-12-10-20-50(52)49-19-9-11-21-51(49)53(54)46-32-31-39-15-7-8-16-45(39)37-46/h1-37H
InChIKeyKAZQVNUXDZNEEO-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-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine
CID 155304299
N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
CID 155303461
N-[4-(3,4-diphenylphenyl)phenyl]-N-phenyl-10-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 155305531
N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
CID 155304537
8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine
CID 89178016
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
CID 155303813
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
CID 155304881
10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155305426
10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304643
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline;9,10-dinaphthalen-2-yl-2,6-bis(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2,6-bis(10-phenylanthracen-9-yl)anthracene
CID 159179813
10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine
CID 155304845
9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
CID 58963420

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The IUPAC name of 10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine (CID 155304970) is 10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine.
What is the SMILES notation for 10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The canonical SMILES for 10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine is c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5c(-c6ccc7ccccc7c6)c6ccccc6c6ccccc56)cc4)cc3)cc2)cc1.
What is the InChIKey of 10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The InChIKey is KAZQVNUXDZNEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-3-13-38(14-4-1)40-23-25-41(26-24-40)42-27-29-43(30-28-42)44-33-35-48(36-34-44)55(47-17-5-2-6-18-47)54-52-22-12-10-20-50(52)49-19-9-11-21-51(49)53(54)46-32-31-39-15-7-8-16-45(39)37-46/h1-37H.
What are the key properties of 10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-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 10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 155304970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).