3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole

C60H41N3 — CID 123699580

IUPAC3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
SMILESC1=CC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)=CCC1
InChIInChI=1S/C60H41N3/c1-4-14-40(15-5-1)41-24-30-48(31-25-41)63-59-34-28-44(42-26-32-57-51(36-42)49-20-10-12-22-55(49)61(57)46-16-6-2-7-17-46)38-53(59)54-39-45(29-35-60(54)63)43-27-33-58-52(37-43)50-21-11-13-23-56(50)62(58)47-18-8-3-9-19-47/h1-2,4-8,10-39H,3,9H2
InChIKeyWFZVOPBAABODPH-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.18
Rot. Bonds6

About 3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole

3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole (PubChem CID 123699580) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is 3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
PubChem CID123699580
Molecular FormulaC60H41N3
Molecular Weight804.01 g/mol
Exact Mass803.33
IUPAC Name3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
SMILESC1=CC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)=CCC1
InChIInChI=1S/C60H41N3/c1-4-14-40(15-5-1)41-24-30-48(31-25-41)63-59-34-28-44(42-26-32-57-51(36-42)49-20-10-12-22-55(49)61(57)46-16-6-2-7-17-46)38-53(59)54-39-45(29-35-60(54)63)43-27-33-58-52(37-43)50-21-11-13-23-56(50)62(58)47-18-8-3-9-19-47/h1-2,4-8,10-39H,3,9H2
InChIKeyWFZVOPBAABODPH-UHFFFAOYSA-N
XLogP16.18
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 166723458
CID 174151922
CID 174151922
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
3-[6-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-5,6-dimethyl-9-(4-phenylphenyl)-7,8-dihydro-5H-carbazol-3-yl]-9-phenylcarbazole
CID 71261042
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9-cyclohexa-1,5-dien-1-yl-3-[7-[3-(3,5-diphenylphenyl)phenyl]-11,12-didehydrotriphenylen-2-yl]-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole
CID 138739738
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243

Frequently Asked Questions

What is the IUPAC name of 3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole (CID 123699580) is 3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole is C1=CC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)=CCC1.
What is the InChIKey of 3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The InChIKey is WFZVOPBAABODPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-4-14-40(15-5-1)41-24-30-48(31-25-41)63-59-34-28-44(42-26-32-57-51(36-42)49-20-10-12-22-55(49)61(57)46-16-6-2-7-17-46)38-53(59)54-39-45(29-35-60(54)63)43-27-33-58-52(37-43)50-21-11-13-23-56(50)62(58)47-18-8-3-9-19-47/h1-2,4-8,10-39H,3,9H2.
What are the key properties of 3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole has a molecular weight of 804.01 g/mol, XLogP of 16.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 123699580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).