7-[8-(4-chlorophenyl)naphthalen-1-yl]-7-methyl-3-phenylbenzo[a]phenalene

C40H27Cl — CID 167018799

IUPAC7-[8-(4-chlorophenyl)naphthalen-1-yl]-7-methyl-3-phenylbenzo[a]phenalene
SMILESCC1(c2cccc3cccc(-c4ccc(Cl)cc4)c23)c2ccccc2-c2ccc(-c3ccccc3)c3cccc1c23
InChIInChI=1S/C40H27Cl/c1-40(36-18-8-13-28-12-7-15-31(38(28)36)27-20-22-29(41)23-21-27)35-17-6-5-14-32(35)34-25-24-30(26-10-3-2-4-11-26)33-16-9-19-37(40)39(33)34/h2-25H,1H3
InChIKeyRJEQQCZGGWLBSK-UHFFFAOYSA-N
MW543.11 g/mol
LogP11.32
Rot. Bonds3

About 7-[8-(4-chlorophenyl)naphthalen-1-yl]-7-methyl-3-phenylbenzo[a]phenalene

7-[8-(4-chlorophenyl)naphthalen-1-yl]-7-methyl-3-phenylbenzo[a]phenalene (PubChem CID 167018799) has the molecular formula C40H27Cl and a molecular weight of 543.11 g/mol. Its IUPAC name is 7-[8-(4-chlorophenyl)naphthalen-1-yl]-7-methyl-3-phenylbenzo[a]phenalene.

Molecular Properties

Compound Name7-[8-(4-chlorophenyl)naphthalen-1-yl]-7-methyl-3-phenylbenzo[a]phenalene
PubChem CID167018799
Molecular FormulaC40H27Cl
Molecular Weight543.11 g/mol
Exact Mass542.18
IUPAC Name7-[8-(4-chlorophenyl)naphthalen-1-yl]-7-methyl-3-phenylbenzo[a]phenalene
SMILESCC1(c2cccc3cccc(-c4ccc(Cl)cc4)c23)c2ccccc2-c2ccc(-c3ccccc3)c3cccc1c23
InChIInChI=1S/C40H27Cl/c1-40(36-18-8-13-28-12-7-15-31(38(28)36)27-20-22-29(41)23-21-27)35-17-6-5-14-32(35)34-25-24-30(26-10-3-2-4-11-26)33-16-9-19-37(40)39(33)34/h2-25H,1H3
InChIKeyRJEQQCZGGWLBSK-UHFFFAOYSA-N
XLogP11.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.11
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(4-chlorophenyl)-7,7-dimethylbenzo[a]phenalene
CID 175136374
9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303515
4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169019865
7-(9,9-dimethylfluoren-2-yl)-10-phenylfluoranthene
CID 170668000
3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
CID 123377158
8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene
CID 167232523
2-(9,9-dimethylfluoren-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 162504612
6,6,12,12-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene
CID 59390161
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
1-(4-chlorophenyl)-9,9-dimethylfluorene
CID 118193752
7,7-dimethyl-4-(5-pyren-1-ylnaphthalen-1-yl)benzo[a]phenalene
CID 171045760
1-[9,9-dimethyl-7-(4-pyren-1-ylphenyl)fluoren-2-yl]-6-phenylpyrene
CID 156656858

Frequently Asked Questions

What is the IUPAC name of 7-[8-(4-chlorophenyl)naphthalen-1-yl]-7-methyl-3-phenylbenzo[a]phenalene?
The IUPAC name of 7-[8-(4-chlorophenyl)naphthalen-1-yl]-7-methyl-3-phenylbenzo[a]phenalene (CID 167018799) is 7-[8-(4-chlorophenyl)naphthalen-1-yl]-7-methyl-3-phenylbenzo[a]phenalene.
What is the SMILES notation for 7-[8-(4-chlorophenyl)naphthalen-1-yl]-7-methyl-3-phenylbenzo[a]phenalene?
The canonical SMILES for 7-[8-(4-chlorophenyl)naphthalen-1-yl]-7-methyl-3-phenylbenzo[a]phenalene is CC1(c2cccc3cccc(-c4ccc(Cl)cc4)c23)c2ccccc2-c2ccc(-c3ccccc3)c3cccc1c23.
What is the InChIKey of 7-[8-(4-chlorophenyl)naphthalen-1-yl]-7-methyl-3-phenylbenzo[a]phenalene?
The InChIKey is RJEQQCZGGWLBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27Cl/c1-40(36-18-8-13-28-12-7-15-31(38(28)36)27-20-22-29(41)23-21-27)35-17-6-5-14-32(35)34-25-24-30(26-10-3-2-4-11-26)33-16-9-19-37(40)39(33)34/h2-25H,1H3.
What are the key properties of 7-[8-(4-chlorophenyl)naphthalen-1-yl]-7-methyl-3-phenylbenzo[a]phenalene?
7-[8-(4-chlorophenyl)naphthalen-1-yl]-7-methyl-3-phenylbenzo[a]phenalene has a molecular weight of 543.11 g/mol, XLogP of 11.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-(4-chlorophenyl)naphthalen-1-yl]-7-methyl-3-phenylbenzo[a]phenalene is sourced from PubChem (CID 167018799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).