3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene

C50H32 — CID 140942160

IUPAC3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene
SMILESc1ccc(-c2cc3ccc(-c4c5ccccc5c(-c5cccc(-c6cccc7ccccc67)c5)c5ccccc45)cc3c3ccccc23)cc1
InChIInChI=1S/C50H32/c1-2-14-34(15-3-1)47-31-36-28-29-38(32-48(36)42-22-7-6-21-41(42)47)50-45-25-10-8-23-43(45)49(44-24-9-11-26-46(44)50)37-19-12-18-35(30-37)40-27-13-17-33-16-4-5-20-39(33)40/h1-32H
InChIKeyLRHKEQIVZNHFEV-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene

3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene (PubChem CID 140942160) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene.

Molecular Properties

Compound Name3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene
PubChem CID140942160
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene
SMILESc1ccc(-c2cc3ccc(-c4c5ccccc5c(-c5cccc(-c6cccc7ccccc67)c5)c5ccccc45)cc3c3ccccc23)cc1
InChIInChI=1S/C50H32/c1-2-14-34(15-3-1)47-31-36-28-29-38(32-48(36)42-22-7-6-21-41(42)47)50-45-25-10-8-23-43(45)49(44-24-9-11-26-46(44)50)37-19-12-18-35(30-37)40-27-13-17-33-16-4-5-20-39(33)40/h1-32H
InChIKeyLRHKEQIVZNHFEV-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837293
9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58151254
9,10-bis(2-phenylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-phenanthren-3-yl-10-phenylanthracene;9-(3-phenanthren-9-ylphenyl)-10-phenylanthracene;9-(4-phenanthren-9-ylphenyl)-10-phenylanthracene;9-(2-phenylphenyl)-10-(3-phenylphenyl)anthracene;9-(2-phenylphenyl)-10-(4-phenylphenyl)anthracene
CID 160536596
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322677
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58323576
9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene
CID 144837284
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322858
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
9,10-bis(4-phenylphenyl)anthracene;9,10-bis[4-(4-phenylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenanthren-9-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;bis(9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene)
CID 167580744
9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579

Frequently Asked Questions

What is the IUPAC name of 3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene?
The IUPAC name of 3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene (CID 140942160) is 3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene.
What is the SMILES notation for 3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene?
The canonical SMILES for 3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene is c1ccc(-c2cc3ccc(-c4c5ccccc5c(-c5cccc(-c6cccc7ccccc67)c5)c5ccccc45)cc3c3ccccc23)cc1.
What is the InChIKey of 3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene?
The InChIKey is LRHKEQIVZNHFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-14-34(15-3-1)47-31-36-28-29-38(32-48(36)42-22-7-6-21-41(42)47)50-45-25-10-8-23-43(45)49(44-24-9-11-26-46(44)50)37-19-12-18-35(30-37)40-27-13-17-33-16-4-5-20-39(33)40/h1-32H.
What are the key properties of 3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene?
3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene is sourced from PubChem (CID 140942160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).