9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene

C36H34 — CID 90929043

IUPAC9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene
SMILESC1=CC=CC(c2ccccc2)C(C2=c3ccccc3=C(C3=CC=CCC3)C3C=CC=CC23)CCC=C1
InChIInChI=1S/C36H34/c1-2-4-12-22-30(29(21-11-3-1)27-17-7-5-8-18-27)36-33-25-15-13-23-31(33)35(28-19-9-6-10-20-28)32-24-14-16-26-34(32)36/h1-9,11,13-19,21,23-26,29-31,33H,10,12,20,22H2
InChIKeyOVELQWFWPRKCDS-UHFFFAOYSA-N
MW466.67 g/mol
LogP7.50
Rot. Bonds3

About 9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene

9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene (PubChem CID 90929043) has the molecular formula C36H34 and a molecular weight of 466.67 g/mol. Its IUPAC name is 9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene.

Molecular Properties

Compound Name9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene
PubChem CID90929043
Molecular FormulaC36H34
Molecular Weight466.67 g/mol
Exact Mass466.27
IUPAC Name9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene
SMILESC1=CC=CC(c2ccccc2)C(C2=c3ccccc3=C(C3=CC=CCC3)C3C=CC=CC23)CCC=C1
InChIInChI=1S/C36H34/c1-2-4-12-22-30(29(21-11-3-1)27-17-7-5-8-18-27)36-33-25-15-13-23-31(33)35(28-19-9-6-10-20-28)32-24-14-16-26-34(32)36/h1-9,11,13-19,21,23-26,29-31,33H,10,12,20,22H2
InChIKeyOVELQWFWPRKCDS-UHFFFAOYSA-N
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7,12-di(cyclohexa-1,3-dien-1-yl)-3,4,6a,12a-tetrahydrobenzo[a]anthracene
CID 123230629
9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-[4-[10-(7,8-dihydronaphthalen-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene
CID 123757413
17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene
CID 123536442
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
1-[10-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-6-phenyl-4a,9a-dihydroanthracen-9-yl]-4a,9b-dihydrodibenzofuran
CID 171420669
5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole
CID 167154675
(5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene
CID 140656633
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene
CID 168834157
(5Z,7Z,9Z,11Z)-5-(4a,8a-dihydronaphthalen-1-yl)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-4a,12a-dihydrobenzo[10]annulene
CID 140729256
1-phenyl-1,2,3,8a-tetrahydronaphthalene
CID 13301822
8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene
CID 90843034

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene?
The IUPAC name of 9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene (CID 90929043) is 9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene.
What is the SMILES notation for 9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene?
The canonical SMILES for 9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene is C1=CC=CC(c2ccccc2)C(C2=c3ccccc3=C(C3=CC=CCC3)C3C=CC=CC23)CCC=C1.
What is the InChIKey of 9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene?
The InChIKey is OVELQWFWPRKCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34/c1-2-4-12-22-30(29(21-11-3-1)27-17-7-5-8-18-27)36-33-25-15-13-23-31(33)35(28-19-9-6-10-20-28)32-24-14-16-26-34(32)36/h1-9,11,13-19,21,23-26,29-31,33H,10,12,20,22H2.
What are the key properties of 9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene?
9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene has a molecular weight of 466.67 g/mol, XLogP of 7.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene is sourced from PubChem (CID 90929043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).