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

C62H49N3 — CID 71261042

IUPAC3-[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
SMILESCC1c2c(n(-c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)CCC1(C)c1ccc2c(c1)c1ccccc1n2C1=CCCC=C1
InChIInChI=1S/C62H49N3/c1-41-61-54-39-45(44-28-33-57-52(38-44)50-22-12-14-24-55(50)63(57)47-18-8-4-9-19-47)29-34-59(54)65(49-31-26-43(27-32-49)42-16-6-3-7-17-42)60(61)36-37-62(41,2)46-30-35-58-53(40-46)51-23-13-15-25-56(51)64(58)48-20-10-5-11-21-48/h3-4,6-10,12-35,38-41H,5,11,36-37H2,1-2H3
InChIKeyXARRLAPTXNYXHE-UHFFFAOYSA-N
MW836.10 g/mol
LogP16.37
Rot. Bonds6

About 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

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 (PubChem CID 71261042) has the molecular formula C62H49N3 and a molecular weight of 836.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID71261042
Molecular FormulaC62H49N3
Molecular Weight836.10 g/mol
Exact Mass835.39
IUPAC Name3-[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
SMILESCC1c2c(n(-c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)CCC1(C)c1ccc2c(c1)c1ccccc1n2C1=CCCC=C1
InChIInChI=1S/C62H49N3/c1-41-61-54-39-45(44-28-33-57-52(38-44)50-22-12-14-24-55(50)63(57)47-18-8-4-9-19-47)29-34-59(54)65(49-31-26-43(27-32-49)42-16-6-3-7-17-42)60(61)36-37-62(41,2)46-30-35-58-53(40-46)51-23-13-15-25-56(51)64(58)48-20-10-5-11-21-48/h3-4,6-10,12-35,38-41H,5,11,36-37H2,1-2H3
InChIKeyXARRLAPTXNYXHE-UHFFFAOYSA-N
XLogP16.37
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.10
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
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
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
3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 144924373

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1c2c(n(-c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)CCC1(C)c1ccc2c(c1)c1ccccc1n2C1=CCCC=C1.
What is the InChIKey of 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?
The InChIKey is XARRLAPTXNYXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H49N3/c1-41-61-54-39-45(44-28-33-57-52(38-44)50-22-12-14-24-55(50)63(57)47-18-8-4-9-19-47)29-34-59(54)65(49-31-26-43(27-32-49)42-16-6-3-7-17-42)60(61)36-37-62(41,2)46-30-35-58-53(40-46)51-23-13-15-25-56(51)64(58)48-20-10-5-11-21-48/h3-4,6-10,12-35,38-41H,5,11,36-37H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 836.10 g/mol, XLogP of 16.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71261042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).