9-(2-cyclohex-2-en-1-yl-6-phenyl-4-pyridinyl)-2-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole

C53H41N3 — CID 166761999

IUPAC9-(2-cyclohex-2-en-1-yl-6-phenyl-4-pyridinyl)-2-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole
SMILESC1=CC(c2cc(-n3c4ccccc4c4ccc(C5=Cc6c(n(-c7ccc(-c8ccccc8)cc7)c7ccccc67)CC5)cc43)cc(-c3ccccc3)n2)CCC1
InChIInChI=1S/C53H41N3/c1-4-14-36(15-5-1)37-24-28-42(29-25-37)55-51-23-13-11-21-45(51)47-32-40(27-31-52(47)55)41-26-30-46-44-20-10-12-22-50(44)56(53(46)33-41)43-34-48(38-16-6-2-7-17-38)54-49(35-43)39-18-8-3-9-19-39/h1-2,4-8,10-18,20-26,28-30,32-35,39H,3,9,19,27,31H2
InChIKeyZJTBNNLWOWYQAG-UHFFFAOYSA-N
MW719.93 g/mol
LogP13.77
Rot. Bonds6

About 9-(2-cyclohex-2-en-1-yl-6-phenyl-4-pyridinyl)-2-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole

9-(2-cyclohex-2-en-1-yl-6-phenyl-4-pyridinyl)-2-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole (PubChem CID 166761999) has the molecular formula C53H41N3 and a molecular weight of 719.93 g/mol. Its IUPAC name is 9-(2-cyclohex-2-en-1-yl-6-phenyl-4-pyridinyl)-2-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-(2-cyclohex-2-en-1-yl-6-phenyl-4-pyridinyl)-2-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole
PubChem CID166761999
Molecular FormulaC53H41N3
Molecular Weight719.93 g/mol
Exact Mass719.33
IUPAC Name9-(2-cyclohex-2-en-1-yl-6-phenyl-4-pyridinyl)-2-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole
SMILESC1=CC(c2cc(-n3c4ccccc4c4ccc(C5=Cc6c(n(-c7ccc(-c8ccccc8)cc7)c7ccccc67)CC5)cc43)cc(-c3ccccc3)n2)CCC1
InChIInChI=1S/C53H41N3/c1-4-14-36(15-5-1)37-24-28-42(29-25-37)55-51-23-13-11-21-45(51)47-32-40(27-31-52(47)55)41-26-30-46-44-20-10-12-22-50(44)56(53(46)33-41)43-34-48(38-16-6-2-7-17-38)54-49(35-43)39-18-8-3-9-19-39/h1-2,4-8,10-18,20-26,28-30,32-35,39H,3,9,19,27,31H2
InChIKeyZJTBNNLWOWYQAG-UHFFFAOYSA-N
XLogP13.77
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.93
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
CID 163966480
3-[9-[4-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]pyrimidin-2-yl]-1,2-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 134438397
3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 161437197
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511300
3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole
CID 146386930
9-(2,6-diphenyl-4-pyridinyl)-2-(3-methylphenyl)carbazole
CID 145333962
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 71286955
9-[3-carbazol-9-yl-5-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole
CID 58526987
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 71287038
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692

Frequently Asked Questions

What is the IUPAC name of 9-(2-cyclohex-2-en-1-yl-6-phenyl-4-pyridinyl)-2-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole?
The IUPAC name of 9-(2-cyclohex-2-en-1-yl-6-phenyl-4-pyridinyl)-2-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole (CID 166761999) is 9-(2-cyclohex-2-en-1-yl-6-phenyl-4-pyridinyl)-2-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole.
What is the SMILES notation for 9-(2-cyclohex-2-en-1-yl-6-phenyl-4-pyridinyl)-2-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole?
The canonical SMILES for 9-(2-cyclohex-2-en-1-yl-6-phenyl-4-pyridinyl)-2-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole is C1=CC(c2cc(-n3c4ccccc4c4ccc(C5=Cc6c(n(-c7ccc(-c8ccccc8)cc7)c7ccccc67)CC5)cc43)cc(-c3ccccc3)n2)CCC1.
What is the InChIKey of 9-(2-cyclohex-2-en-1-yl-6-phenyl-4-pyridinyl)-2-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole?
The InChIKey is ZJTBNNLWOWYQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41N3/c1-4-14-36(15-5-1)37-24-28-42(29-25-37)55-51-23-13-11-21-45(51)47-32-40(27-31-52(47)55)41-26-30-46-44-20-10-12-22-50(44)56(53(46)33-41)43-34-48(38-16-6-2-7-17-38)54-49(35-43)39-18-8-3-9-19-39/h1-2,4-8,10-18,20-26,28-30,32-35,39H,3,9,19,27,31H2.
What are the key properties of 9-(2-cyclohex-2-en-1-yl-6-phenyl-4-pyridinyl)-2-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole?
9-(2-cyclohex-2-en-1-yl-6-phenyl-4-pyridinyl)-2-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole has a molecular weight of 719.93 g/mol, XLogP of 13.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyclohex-2-en-1-yl-6-phenyl-4-pyridinyl)-2-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 166761999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).