2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole

C64H42N6 — CID 170205076

IUPAC2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole
SMILESC1=Cc2c(n(-c3ccncc3)c3cc4c(cc23)c2cc(-c3ccccc3)ccc2n4-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc5c6ccccc6n(-c6ccncc6)c5cc43)cc2)CC1
InChIInChI=1S/C64H42N6/c1-3-11-41(12-4-1)43-19-25-59-51(35-43)55-37-53-49-15-7-9-17-57(49)69(47-27-31-65-32-28-47)61(53)39-63(55)67(59)45-21-23-46(24-22-45)68-60-26-20-44(42-13-5-2-6-14-42)36-52(60)56-38-54-50-16-8-10-18-58(50)70(62(54)40-64(56)68)48-29-33-66-34-30-48/h1-9,11-17,19-40H,10,18H2
InChIKeyQDLYDUADHIGFLL-UHFFFAOYSA-N
MW895.08 g/mol
LogP16.01
Rot. Bonds6

About 2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole

2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole (PubChem CID 170205076) has the molecular formula C64H42N6 and a molecular weight of 895.08 g/mol. Its IUPAC name is 2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole
PubChem CID170205076
Molecular FormulaC64H42N6
Molecular Weight895.08 g/mol
Exact Mass894.35
IUPAC Name2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole
SMILESC1=Cc2c(n(-c3ccncc3)c3cc4c(cc23)c2cc(-c3ccccc3)ccc2n4-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc5c6ccccc6n(-c6ccncc6)c5cc43)cc2)CC1
InChIInChI=1S/C64H42N6/c1-3-11-41(12-4-1)43-19-25-59-51(35-43)55-37-53-49-15-7-9-17-57(49)69(47-27-31-65-32-28-47)61(53)39-63(55)67(59)45-21-23-46(24-22-45)68-60-26-20-44(42-13-5-2-6-14-42)36-52(60)56-38-54-50-16-8-10-18-58(50)70(62(54)40-64(56)68)48-29-33-66-34-30-48/h1-9,11-17,19-40H,10,18H2
InChIKeyQDLYDUADHIGFLL-UHFFFAOYSA-N
XLogP16.01
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.08
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole with MolForge

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Related Compounds

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9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
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5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole
CID 164797248
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170137926
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9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole?
The IUPAC name of 2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole (CID 170205076) is 2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole.
What is the SMILES notation for 2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole?
The canonical SMILES for 2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole is C1=Cc2c(n(-c3ccncc3)c3cc4c(cc23)c2cc(-c3ccccc3)ccc2n4-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc5c6ccccc6n(-c6ccncc6)c5cc43)cc2)CC1.
What is the InChIKey of 2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole?
The InChIKey is QDLYDUADHIGFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N6/c1-3-11-41(12-4-1)43-19-25-59-51(35-43)55-37-53-49-15-7-9-17-57(49)69(47-27-31-65-32-28-47)61(53)39-63(55)67(59)45-21-23-46(24-22-45)68-60-26-20-44(42-13-5-2-6-14-42)36-52(60)56-38-54-50-16-8-10-18-58(50)70(62(54)40-64(56)68)48-29-33-66-34-30-48/h1-9,11-17,19-40H,10,18H2.
What are the key properties of 2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole?
2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole has a molecular weight of 895.08 g/mol, XLogP of 16.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole is sourced from PubChem (CID 170205076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).