3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene

C42H26 — CID 58544598

IUPAC3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5ccc(-c6ccc(-c7ccc8ccccc8c7)cc6)cc5c4)ccc-2c13
InChIInChI=1S/C42H26/c1-2-7-31-24-32(19-16-27(31)6-1)28-12-14-29(15-13-28)33-20-17-30-18-21-34(26-35(30)25-33)36-22-23-41-38-9-4-3-8-37(38)40-11-5-10-39(36)42(40)41/h1-26H
InChIKeyDHXSOYDYOBEAIT-UHFFFAOYSA-N
MW530.67 g/mol
LogP11.79
Rot. Bonds3

About 3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene

3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene (PubChem CID 58544598) has the molecular formula C42H26 and a molecular weight of 530.67 g/mol. Its IUPAC name is 3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene.

Molecular Properties

Compound Name3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
PubChem CID58544598
Molecular FormulaC42H26
Molecular Weight530.67 g/mol
Exact Mass530.20
IUPAC Name3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5ccc(-c6ccc(-c7ccc8ccccc8c7)cc6)cc5c4)ccc-2c13
InChIInChI=1S/C42H26/c1-2-7-31-24-32(19-16-27(31)6-1)28-12-14-29(15-13-28)33-20-17-30-18-21-34(26-35(30)25-33)36-22-23-41-38-9-4-3-8-37(38)40-11-5-10-39(36)42(40)41/h1-26H
InChIKeyDHXSOYDYOBEAIT-UHFFFAOYSA-N
XLogP11.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene
CID 58544674
5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58544615
3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene
CID 123939461
19-naphthalen-2-ylhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene
CID 140710714
3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene
CID 123322514
3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569073

Frequently Asked Questions

What is the IUPAC name of 3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene?
The IUPAC name of 3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene (CID 58544598) is 3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene.
What is the SMILES notation for 3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene?
The canonical SMILES for 3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene is c1ccc2c(c1)-c1cccc3c(-c4ccc5ccc(-c6ccc(-c7ccc8ccccc8c7)cc6)cc5c4)ccc-2c13.
What is the InChIKey of 3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene?
The InChIKey is DHXSOYDYOBEAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26/c1-2-7-31-24-32(19-16-27(31)6-1)28-12-14-29(15-13-28)33-20-17-30-18-21-34(26-35(30)25-33)36-22-23-41-38-9-4-3-8-37(38)40-11-5-10-39(36)42(40)41/h1-26H.
What are the key properties of 3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene?
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene has a molecular weight of 530.67 g/mol, XLogP of 11.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene is sourced from PubChem (CID 58544598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).