5-[3,5-bis(1,2-dihydroacenaphthylen-5-yl)phenyl]-1,2-dihydroacenaphthylene

C42H30 — CID 14670221

IUPAC5-[3,5-bis(1,2-dihydroacenaphthylen-5-yl)phenyl]-1,2-dihydroacenaphthylene
SMILESc1cc2c3c(ccc(-c4cc(-c5ccc6c7c(cccc57)CC6)cc(-c5ccc6c7c(cccc57)CC6)c4)c3c1)CC2
InChIInChI=1S/C42H30/c1-4-25-10-13-28-16-19-34(37(7-1)40(25)28)31-22-32(35-20-17-29-14-11-26-5-2-8-38(35)41(26)29)24-33(23-31)36-21-18-30-15-12-27-6-3-9-39(36)42(27)30/h1-9,16-24H,10-15H2
InChIKeyHZUMUCSDDYOWSL-UHFFFAOYSA-N
MW534.70 g/mol
LogP10.44
Rot. Bonds3

About 5-[3,5-bis(1,2-dihydroacenaphthylen-5-yl)phenyl]-1,2-dihydroacenaphthylene

5-[3,5-bis(1,2-dihydroacenaphthylen-5-yl)phenyl]-1,2-dihydroacenaphthylene (PubChem CID 14670221) has the molecular formula C42H30 and a molecular weight of 534.70 g/mol. Its IUPAC name is 5-[3,5-bis(1,2-dihydroacenaphthylen-5-yl)phenyl]-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name5-[3,5-bis(1,2-dihydroacenaphthylen-5-yl)phenyl]-1,2-dihydroacenaphthylene
PubChem CID14670221
Molecular FormulaC42H30
Molecular Weight534.70 g/mol
Exact Mass534.23
IUPAC Name5-[3,5-bis(1,2-dihydroacenaphthylen-5-yl)phenyl]-1,2-dihydroacenaphthylene
SMILESc1cc2c3c(ccc(-c4cc(-c5ccc6c7c(cccc57)CC6)cc(-c5ccc6c7c(cccc57)CC6)c4)c3c1)CC2
InChIInChI=1S/C42H30/c1-4-25-10-13-28-16-19-34(37(7-1)40(25)28)31-22-32(35-20-17-29-14-11-26-5-2-8-38(35)41(26)29)24-33(23-31)36-21-18-30-15-12-27-6-3-9-39(36)42(27)30/h1-9,16-24H,10-15H2
InChIKeyHZUMUCSDDYOWSL-UHFFFAOYSA-N
XLogP10.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(1,2-dihydroacenaphthylen-5-yl)phenyl]-1,2-dihydroacenaphthylene?
The IUPAC name of 5-[3,5-bis(1,2-dihydroacenaphthylen-5-yl)phenyl]-1,2-dihydroacenaphthylene (CID 14670221) is 5-[3,5-bis(1,2-dihydroacenaphthylen-5-yl)phenyl]-1,2-dihydroacenaphthylene.
What is the SMILES notation for 5-[3,5-bis(1,2-dihydroacenaphthylen-5-yl)phenyl]-1,2-dihydroacenaphthylene?
The canonical SMILES for 5-[3,5-bis(1,2-dihydroacenaphthylen-5-yl)phenyl]-1,2-dihydroacenaphthylene is c1cc2c3c(ccc(-c4cc(-c5ccc6c7c(cccc57)CC6)cc(-c5ccc6c7c(cccc57)CC6)c4)c3c1)CC2.
What is the InChIKey of 5-[3,5-bis(1,2-dihydroacenaphthylen-5-yl)phenyl]-1,2-dihydroacenaphthylene?
The InChIKey is HZUMUCSDDYOWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30/c1-4-25-10-13-28-16-19-34(37(7-1)40(25)28)31-22-32(35-20-17-29-14-11-26-5-2-8-38(35)41(26)29)24-33(23-31)36-21-18-30-15-12-27-6-3-9-39(36)42(27)30/h1-9,16-24H,10-15H2.
What are the key properties of 5-[3,5-bis(1,2-dihydroacenaphthylen-5-yl)phenyl]-1,2-dihydroacenaphthylene?
5-[3,5-bis(1,2-dihydroacenaphthylen-5-yl)phenyl]-1,2-dihydroacenaphthylene has a molecular weight of 534.70 g/mol, XLogP of 10.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(1,2-dihydroacenaphthylen-5-yl)phenyl]-1,2-dihydroacenaphthylene is sourced from PubChem (CID 14670221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).