benzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole

C41H41N — CID 160566551

IUPACbenzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole
SMILESC1=Cc2ccccc2C1.C1=Nc2ccccc2C1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2.c1ccccc1
InChIInChI=1S/2C9H10.C9H8.C8H7N.C6H6/c3*1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1/h2*1-2,4-5H,3,6-7H2;1-6H,7H2;1-4,6H,5H2;1-6H
InChIKeyQZZMAQLWNWXKJV-UHFFFAOYSA-N
MW547.79 g/mol
LogP10.24
Rot. Bonds

About benzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole

benzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole (PubChem CID 160566551) has the molecular formula C41H41N and a molecular weight of 547.79 g/mol. Its IUPAC name is benzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole.

Molecular Properties

Compound Namebenzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole
PubChem CID160566551
Molecular FormulaC41H41N
Molecular Weight547.79 g/mol
Exact Mass547.32
IUPAC Namebenzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole
SMILESC1=Cc2ccccc2C1.C1=Nc2ccccc2C1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2.c1ccccc1
InChIInChI=1S/2C9H10.C9H8.C8H7N.C6H6/c3*1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1/h2*1-2,4-5H,3,6-7H2;1-6H,7H2;1-4,6H,5H2;1-6H
InChIKeyQZZMAQLWNWXKJV-UHFFFAOYSA-N
XLogP10.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.79
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 157086025
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CID 158452751
1H-indene;methane
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CID 157370172
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CID 175216856
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Frequently Asked Questions

What is the IUPAC name of benzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole?
The IUPAC name of benzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole (CID 160566551) is benzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole.
What is the SMILES notation for benzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole?
The canonical SMILES for benzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole is C1=Cc2ccccc2C1.C1=Nc2ccccc2C1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2.c1ccccc1.
What is the InChIKey of benzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole?
The InChIKey is QZZMAQLWNWXKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10.C9H8.C8H7N.C6H6/c3*1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1/h2*1-2,4-5H,3,6-7H2;1-6H,7H2;1-4,6H,5H2;1-6H.
What are the key properties of benzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole?
benzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole has a molecular weight of 547.79 g/mol, XLogP of 10.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole is sourced from PubChem (CID 160566551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).