11-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-1,12b-dihydrobenzo[a]anthracene

C38H30 — CID 123829528

IUPAC11-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-1,12b-dihydrobenzo[a]anthracene
SMILESC1=CCCC(c2c3c(c(-c4cccc5cc6c(cc45)C4CC=CC=C4C=C6)c4ccccc24)=CCCC=3)=C1
InChIInChI=1S/C38H30/c1-2-12-26(13-3-1)37-30-16-6-8-18-32(30)38(33-19-9-7-17-31(33)37)34-20-10-14-27-23-28-22-21-25-11-4-5-15-29(25)35(28)24-36(27)34/h1-2,4-6,8,10-12,14,16-24,29H,3,7,9,13,15H2
InChIKeyLZOVQJJDCHRSRL-UHFFFAOYSA-N
MW486.66 g/mol
LogP8.74
Rot. Bonds2

About 11-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-1,12b-dihydrobenzo[a]anthracene

11-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-1,12b-dihydrobenzo[a]anthracene (PubChem CID 123829528) has the molecular formula C38H30 and a molecular weight of 486.66 g/mol. Its IUPAC name is 11-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-1,12b-dihydrobenzo[a]anthracene.

Molecular Properties

Compound Name11-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-1,12b-dihydrobenzo[a]anthracene
PubChem CID123829528
Molecular FormulaC38H30
Molecular Weight486.66 g/mol
Exact Mass486.23
IUPAC Name11-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-1,12b-dihydrobenzo[a]anthracene
SMILESC1=CCCC(c2c3c(c(-c4cccc5cc6c(cc45)C4CC=CC=C4C=C6)c4ccccc24)=CCCC=3)=C1
InChIInChI=1S/C38H30/c1-2-12-26(13-3-1)37-30-16-6-8-18-32(30)38(33-19-9-7-17-31(33)37)34-20-10-14-27-23-28-22-21-25-11-4-5-15-29(25)35(28)24-36(27)34/h1-2,4-6,8,10-12,14,16-24,29H,3,7,9,13,15H2
InChIKeyLZOVQJJDCHRSRL-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 166737765
9-(7,8-dihydronaphthalen-2-yl)-10-(6,7-dihydrophenanthren-9-yl)-2,3-dihydroanthracene
CID 123848237
9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene
CID 123176490
3-benzo[a]anthracen-11-yl-8-(1,9,10,12b-tetrahydrobenzo[a]anthracen-11-yl)-5-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4,4a-dihydro-1,10-phenanthroline
CID 88977321
4-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-ethyl-2,3,12,12a-tetrahydrobenzo[a]anthracene
CID 123866337
9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene
CID 143539913
7-(1,9,10,12b-tetrahydrobenzo[a]anthracen-8-yl)-3-(3,4-dihydrobenzo[a]anthracen-11-yl)-1,2-dihydrodibenzofuran
CID 88977328
9-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-10-(6,7-dihydronaphthalen-1-yl)anthracene
CID 123406834
9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-6-N-naphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine
CID 89061041
10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene
CID 123479089
9-(10-cyclohexa-1,3-dien-1-ylanthracen-9-yl)-1,2-dihydropyrene
CID 140704038
2-[4-(7-cyclohexa-1,3-dien-1-yl-1,12b-dihydrobenzo[a]anthracen-4-yl)cyclohexa-1,5-dien-1-yl]-4-(2,3,5,6,7,8-hexahydronaphthalen-1-yl)-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,5-triazine
CID 70876967

Frequently Asked Questions

What is the IUPAC name of 11-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-1,12b-dihydrobenzo[a]anthracene?
The IUPAC name of 11-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-1,12b-dihydrobenzo[a]anthracene (CID 123829528) is 11-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-1,12b-dihydrobenzo[a]anthracene.
What is the SMILES notation for 11-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-1,12b-dihydrobenzo[a]anthracene?
The canonical SMILES for 11-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-1,12b-dihydrobenzo[a]anthracene is C1=CCCC(c2c3c(c(-c4cccc5cc6c(cc45)C4CC=CC=C4C=C6)c4ccccc24)=CCCC=3)=C1.
What is the InChIKey of 11-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-1,12b-dihydrobenzo[a]anthracene?
The InChIKey is LZOVQJJDCHRSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30/c1-2-12-26(13-3-1)37-30-16-6-8-18-32(30)38(33-19-9-7-17-31(33)37)34-20-10-14-27-23-28-22-21-25-11-4-5-15-29(25)35(28)24-36(27)34/h1-2,4-6,8,10-12,14,16-24,29H,3,7,9,13,15H2.
What are the key properties of 11-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-1,12b-dihydrobenzo[a]anthracene?
11-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-1,12b-dihydrobenzo[a]anthracene has a molecular weight of 486.66 g/mol, XLogP of 8.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-1,12b-dihydrobenzo[a]anthracene is sourced from PubChem (CID 123829528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).