5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole

C47H33N3 — CID 70912465

IUPAC5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole
SMILESC1=CC(c2cc(-c3ccccc3)nc(-c3ccccc3)c2)CC(n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)=C1
InChIInChI=1S/C47H33N3/c1-4-15-32(16-5-1)42-28-35(29-43(48-42)33-17-6-2-7-18-33)34-19-14-22-37(27-34)50-45-26-13-11-24-39(45)41-30-40-38-23-10-12-25-44(38)49(46(40)31-47(41)50)36-20-8-3-9-21-36/h1-26,28-31,34H,27H2
InChIKeyUKEJDQOTVIFKEZ-UHFFFAOYSA-N
MW639.80 g/mol
LogP12.21
Rot. Bonds5

About 5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole

5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 70912465) has the molecular formula C47H33N3 and a molecular weight of 639.80 g/mol. Its IUPAC name is 5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole
PubChem CID70912465
Molecular FormulaC47H33N3
Molecular Weight639.80 g/mol
Exact Mass639.27
IUPAC Name5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole
SMILESC1=CC(c2cc(-c3ccccc3)nc(-c3ccccc3)c2)CC(n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)=C1
InChIInChI=1S/C47H33N3/c1-4-15-32(16-5-1)42-28-35(29-43(48-42)33-17-6-2-7-18-33)34-19-14-22-37(27-34)50-45-26-13-11-24-39(45)41-30-40-38-23-10-12-25-44(38)49(46(40)31-47(41)50)36-20-8-3-9-21-36/h1-26,28-31,34H,27H2
InChIKeyUKEJDQOTVIFKEZ-UHFFFAOYSA-N
XLogP12.21
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole with MolForge

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Related Compounds

7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240607
5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 134438469
7-[4-(4-phenylphenyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-b]carbazole
CID 121385422
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 134168850
5-(3-phenylphenyl)-7-[4-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155241176
7-phenyl-5-[3-[6-phenyl-4-(2-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240898
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
11-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-b]carbazole
CID 121385495
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-b]carbazole
CID 158545960
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
5-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 156554520
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

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole (CID 70912465) is 5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole is C1=CC(c2cc(-c3ccccc3)nc(-c3ccccc3)c2)CC(n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)=C1.
What is the InChIKey of 5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is UKEJDQOTVIFKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3/c1-4-15-32(16-5-1)42-28-35(29-43(48-42)33-17-6-2-7-18-33)34-19-14-22-37(27-34)50-45-26-13-11-24-39(45)41-30-40-38-23-10-12-25-44(38)49(46(40)31-47(41)50)36-20-8-3-9-21-36/h1-26,28-31,34H,27H2.
What are the key properties of 5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole?
5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 639.80 g/mol, XLogP of 12.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 70912465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).