2-[4-[2-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]triphenylene

C40H32 — CID 144670808

IUPAC2-[4-[2-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]triphenylene
SMILESCc1c(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cccc1-c1ccccc1C(C)C
InChIInChI=1S/C40H32/c1-26(2)31-11-4-5-12-34(31)33-18-10-17-32(27(33)3)29-21-19-28(20-22-29)30-23-24-39-37-15-7-6-13-35(37)36-14-8-9-16-38(36)40(39)25-30/h4-26H,1-3H3
InChIKeyXOQGOWWQFORKLB-UHFFFAOYSA-N
MW512.70 g/mol
LogP11.58
Rot. Bonds4

About 2-[4-[2-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]triphenylene

2-[4-[2-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]triphenylene (PubChem CID 144670808) has the molecular formula C40H32 and a molecular weight of 512.70 g/mol. Its IUPAC name is 2-[4-[2-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]triphenylene.

Molecular Properties

Compound Name2-[4-[2-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]triphenylene
PubChem CID144670808
Molecular FormulaC40H32
Molecular Weight512.70 g/mol
Exact Mass512.25
IUPAC Name2-[4-[2-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]triphenylene
SMILESCc1c(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cccc1-c1ccccc1C(C)C
InChIInChI=1S/C40H32/c1-26(2)31-11-4-5-12-34(31)33-18-10-17-32(27(33)3)29-21-19-28(20-22-29)30-23-24-39-37-15-7-6-13-35(37)36-14-8-9-16-38(36)40(39)25-30/h4-26H,1-3H3
InChIKeyXOQGOWWQFORKLB-UHFFFAOYSA-N
XLogP11.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 511.58
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

1-propan-2-yl-7-triphenylen-2-yldibenzofuran
CID 164787333
2-(4-methylphenyl)-4-phenyl-1-propan-2-ylbenzene
CID 163504482
ethane;methane;2-(4-methylphenyl)triphenylene
CID 144703361
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
5-(4-methylphenyl)rubicene
CID 71421562
9,10-dimethyl-3-naphthalen-1-ylphenanthrene
CID 158591349
1,3-diphenylbenzene;bis(1,4-diphenylbenzene);ethane;2-methyl-1,3-diphenylbenzene;naphthalene;toluene
CID 157326464
6-phenyl-1-propan-2-ylnaphthalene
CID 176757319
2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene
CID 157107498
4-[12-(4-cyanophenyl)-2-(8-propan-2-ylnaphthalen-1-yl)chrysen-6-yl]benzonitrile
CID 118264597
1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene
CID 91401527
2-[4-[3-methyl-5-(4-triphenylen-2-ylphenyl)phenyl]phenyl]triphenylene
CID 59841979

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]triphenylene?
The IUPAC name of 2-[4-[2-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]triphenylene (CID 144670808) is 2-[4-[2-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]triphenylene.
What is the SMILES notation for 2-[4-[2-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]triphenylene?
The canonical SMILES for 2-[4-[2-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]triphenylene is Cc1c(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cccc1-c1ccccc1C(C)C.
What is the InChIKey of 2-[4-[2-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]triphenylene?
The InChIKey is XOQGOWWQFORKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32/c1-26(2)31-11-4-5-12-34(31)33-18-10-17-32(27(33)3)29-21-19-28(20-22-29)30-23-24-39-37-15-7-6-13-35(37)36-14-8-9-16-38(36)40(39)25-30/h4-26H,1-3H3.
What are the key properties of 2-[4-[2-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]triphenylene?
2-[4-[2-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]triphenylene has a molecular weight of 512.70 g/mol, XLogP of 11.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]triphenylene is sourced from PubChem (CID 144670808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).