1,4-diphenylbenzene;1H-indene

C27H22 — CID 156634731

IUPAC1,4-diphenylbenzene;1H-indene
SMILESC1=Cc2ccccc2C1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H14.C9H8/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-2-5-9-7-3-6-8(9)4-1/h1-14H;1-6H,7H2
InChIKeyRIWCQYNWFSCUFV-UHFFFAOYSA-N
MW346.47 g/mol
LogP7.28
Rot. Bonds2

About 1,4-diphenylbenzene;1H-indene

1,4-diphenylbenzene;1H-indene (PubChem CID 156634731) has the molecular formula C27H22 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1,4-diphenylbenzene;1H-indene.

Molecular Properties

Compound Name1,4-diphenylbenzene;1H-indene
PubChem CID156634731
Molecular FormulaC27H22
Molecular Weight346.47 g/mol
Exact Mass346.17
IUPAC Name1,4-diphenylbenzene;1H-indene
SMILESC1=Cc2ccccc2C1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H14.C9H8/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-2-5-9-7-3-6-8(9)4-1/h1-14H;1-6H,7H2
InChIKeyRIWCQYNWFSCUFV-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,4-diphenylbenzene;1H-indene?
The IUPAC name of 1,4-diphenylbenzene;1H-indene (CID 156634731) is 1,4-diphenylbenzene;1H-indene.
What is the SMILES notation for 1,4-diphenylbenzene;1H-indene?
The canonical SMILES for 1,4-diphenylbenzene;1H-indene is C1=Cc2ccccc2C1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1,4-diphenylbenzene;1H-indene?
The InChIKey is RIWCQYNWFSCUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14.C9H8/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-2-5-9-7-3-6-8(9)4-1/h1-14H;1-6H,7H2.
What are the key properties of 1,4-diphenylbenzene;1H-indene?
1,4-diphenylbenzene;1H-indene has a molecular weight of 346.47 g/mol, XLogP of 7.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenylbenzene;1H-indene is sourced from PubChem (CID 156634731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).