2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene

C35H24 — CID 145415013

IUPAC2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene
SMILESCc1cccc(-c2c(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc3ccccc23)c1
InChIInChI=1S/C35H24/c1-23-9-8-11-26(21-23)35-27-12-3-2-10-24(27)17-19-28(35)25-18-20-33-31-15-5-4-13-29(31)30-14-6-7-16-32(30)34(33)22-25/h2-22H,1H3
InChIKeyCCYZMTXYAIJNGK-UHFFFAOYSA-N
MW444.58 g/mol
LogP9.94
Rot. Bonds2

About 2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene

2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene (PubChem CID 145415013) has the molecular formula C35H24 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene.

Molecular Properties

Compound Name2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene
PubChem CID145415013
Molecular FormulaC35H24
Molecular Weight444.58 g/mol
Exact Mass444.19
IUPAC Name2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene
SMILESCc1cccc(-c2c(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc3ccccc23)c1
InChIInChI=1S/C35H24/c1-23-9-8-11-26(21-23)35-27-12-3-2-10-24(27)17-19-28(35)25-18-20-33-31-15-5-4-13-29(31)30-14-6-7-16-32(30)34(33)22-25/h2-22H,1H3
InChIKeyCCYZMTXYAIJNGK-UHFFFAOYSA-N
XLogP9.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene
CID 142592981
2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]
CID 145414946
1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine
CID 142592974
ethane;2-(3-methylphenyl)triphenylene
CID 90881937
2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene
CID 142593010
ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene
CID 157325912
2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 160536482
9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837207
1-(3-methylphenyl)naphthalen-2-amine
CID 141043466
[2,4-bis(3-methylphenyl)-3-naphthalen-2-ylphenyl]methanol
CID 70018173
2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene
CID 161318804
9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene?
The IUPAC name of 2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene (CID 145415013) is 2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene.
What is the SMILES notation for 2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene?
The canonical SMILES for 2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene is Cc1cccc(-c2c(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc3ccccc23)c1.
What is the InChIKey of 2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene?
The InChIKey is CCYZMTXYAIJNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24/c1-23-9-8-11-26(21-23)35-27-12-3-2-10-24(27)17-19-28(35)25-18-20-33-31-15-5-4-13-29(31)30-14-6-7-16-32(30)34(33)22-25/h2-22H,1H3.
What are the key properties of 2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene?
2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene has a molecular weight of 444.58 g/mol, XLogP of 9.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene is sourced from PubChem (CID 145415013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).