9-[4-[(3E)-3-[4-[3-(2,2-diphenylethyl)phenyl]cyclohexen-1-yl]-7-methylcyclooct-3-en-1-yl]phenyl]carbazole

C53H51N — CID 145494546

IUPAC9-[4-[(3E)-3-[4-[3-(2,2-diphenylethyl)phenyl]cyclohexen-1-yl]-7-methylcyclooct-3-en-1-yl]phenyl]carbazole
SMILESCC1CC/C=C(/C2=CCC(c3cccc(CC(c4ccccc4)c4ccccc4)c3)CC2)CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)C1
InChIInChI=1S/C53H51N/c1-38-14-12-20-46(37-47(34-38)42-30-32-48(33-31-42)54-52-24-10-8-22-49(52)50-23-9-11-25-53(50)54)41-28-26-40(27-29-41)45-21-13-15-39(35-45)36-51(43-16-4-2-5-17-43)44-18-6-3-7-19-44/h2-11,13,15-25,28,30-33,35,38,40,47,51H,12,14,26-27,29,34,36-37H2,1H3/b46-20+
InChIKeyZQENSMXWKCJATG-YSLVCXEZSA-N
MW702.00 g/mol
LogP14.27
Rot. Bonds8

About 9-[4-[(3E)-3-[4-[3-(2,2-diphenylethyl)phenyl]cyclohexen-1-yl]-7-methylcyclooct-3-en-1-yl]phenyl]carbazole

9-[4-[(3E)-3-[4-[3-(2,2-diphenylethyl)phenyl]cyclohexen-1-yl]-7-methylcyclooct-3-en-1-yl]phenyl]carbazole (PubChem CID 145494546) has the molecular formula C53H51N and a molecular weight of 702.00 g/mol. Its IUPAC name is 9-[4-[(3E)-3-[4-[3-(2,2-diphenylethyl)phenyl]cyclohexen-1-yl]-7-methylcyclooct-3-en-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[(3E)-3-[4-[3-(2,2-diphenylethyl)phenyl]cyclohexen-1-yl]-7-methylcyclooct-3-en-1-yl]phenyl]carbazole
PubChem CID145494546
Molecular FormulaC53H51N
Molecular Weight702.00 g/mol
Exact Mass701.40
IUPAC Name9-[4-[(3E)-3-[4-[3-(2,2-diphenylethyl)phenyl]cyclohexen-1-yl]-7-methylcyclooct-3-en-1-yl]phenyl]carbazole
SMILESCC1CC/C=C(/C2=CCC(c3cccc(CC(c4ccccc4)c4ccccc4)c3)CC2)CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)C1
InChIInChI=1S/C53H51N/c1-38-14-12-20-46(37-47(34-38)42-30-32-48(33-31-42)54-52-24-10-8-22-49(52)50-23-9-11-25-53(50)54)41-28-26-40(27-29-41)45-21-13-15-39(35-45)36-51(43-16-4-2-5-17-43)44-18-6-3-7-19-44/h2-11,13,15-25,28,30-33,35,38,40,47,51H,12,14,26-27,29,34,36-37H2,1H3/b46-20+
InChIKeyZQENSMXWKCJATG-YSLVCXEZSA-N
XLogP14.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.00
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[5-[3-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]phenyl]cyclohexa-1,5-dien-1-yl]-9-(4-phenylphenyl)carbazole
CID 146569116
9-[4-[1-methyl-9-(3-phenylphenyl)-1,2,3,4-tetrahydrocarbazol-3-yl]phenyl]carbazole
CID 147379775
N,9-diphenyl-N-[4-[4-[2-phenyl-2-(9-phenylcarbazol-3-yl)ethyl]cyclohexa-2,4-dien-1-yl]phenyl]carbazol-3-amine
CID 123492493
3-cyclopropyl-6-[6-cyclopropyl-9-[3-[3-cyclopropyl-6-(6-cyclopropyl-9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 159486702
3,6-bis[9-[3-(2-methylpropyl)phenyl]carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307104
9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole
CID 145421619
3-[9-[4-(3-cyclopentyl-10-phenylanthracen-9-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-3-yl)-9-[4-(10-phenyl-3-propan-2-ylanthracen-9-yl)phenyl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-(10-phenyl-3-propylanthracen-9-yl)phenyl]carbazole
CID 161395291
3-[9-[4-(3-pentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2(11),3,9-trienyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 177145381
9-(3-cyclopentylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 168805817
3-[4-(9H-fluoren-9-yl)phenyl]-9-[4-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]phenyl]carbazole
CID 170064226
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(3E)-3-[4-[3-(2,2-diphenylethyl)phenyl]cyclohexen-1-yl]-7-methylcyclooct-3-en-1-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[(3E)-3-[4-[3-(2,2-diphenylethyl)phenyl]cyclohexen-1-yl]-7-methylcyclooct-3-en-1-yl]phenyl]carbazole (CID 145494546) is 9-[4-[(3E)-3-[4-[3-(2,2-diphenylethyl)phenyl]cyclohexen-1-yl]-7-methylcyclooct-3-en-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[(3E)-3-[4-[3-(2,2-diphenylethyl)phenyl]cyclohexen-1-yl]-7-methylcyclooct-3-en-1-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[(3E)-3-[4-[3-(2,2-diphenylethyl)phenyl]cyclohexen-1-yl]-7-methylcyclooct-3-en-1-yl]phenyl]carbazole is CC1CC/C=C(/C2=CCC(c3cccc(CC(c4ccccc4)c4ccccc4)c3)CC2)CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)C1.
What is the InChIKey of 9-[4-[(3E)-3-[4-[3-(2,2-diphenylethyl)phenyl]cyclohexen-1-yl]-7-methylcyclooct-3-en-1-yl]phenyl]carbazole?
The InChIKey is ZQENSMXWKCJATG-YSLVCXEZSA-N. The full InChI is InChI=1S/C53H51N/c1-38-14-12-20-46(37-47(34-38)42-30-32-48(33-31-42)54-52-24-10-8-22-49(52)50-23-9-11-25-53(50)54)41-28-26-40(27-29-41)45-21-13-15-39(35-45)36-51(43-16-4-2-5-17-43)44-18-6-3-7-19-44/h2-11,13,15-25,28,30-33,35,38,40,47,51H,12,14,26-27,29,34,36-37H2,1H3/b46-20+.
What are the key properties of 9-[4-[(3E)-3-[4-[3-(2,2-diphenylethyl)phenyl]cyclohexen-1-yl]-7-methylcyclooct-3-en-1-yl]phenyl]carbazole?
9-[4-[(3E)-3-[4-[3-(2,2-diphenylethyl)phenyl]cyclohexen-1-yl]-7-methylcyclooct-3-en-1-yl]phenyl]carbazole has a molecular weight of 702.00 g/mol, XLogP of 14.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(3E)-3-[4-[3-(2,2-diphenylethyl)phenyl]cyclohexen-1-yl]-7-methylcyclooct-3-en-1-yl]phenyl]carbazole is sourced from PubChem (CID 145494546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).