8-(3-carbazol-9-ylphenyl)-5-[3-[8-(3-carbazol-9-ylphenyl)-1,2-dihydropyrido[4,3-b]indol-5-yl]phenyl]pyrido[4,3-b]indole;ethane

C66H48N6 — CID 143802439

IUPAC8-(3-carbazol-9-ylphenyl)-5-[3-[8-(3-carbazol-9-ylphenyl)-1,2-dihydropyrido[4,3-b]indol-5-yl]phenyl]pyrido[4,3-b]indole;ethane
SMILESC1=Cc2c(c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc3n2-c2cccc(-n3c4ccncc4c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc43)c2)CN1.CC
InChIInChI=1S/C64H42N6.C2H6/c1-5-22-57-49(18-1)50-19-2-6-23-58(50)67(57)45-14-9-12-41(34-45)43-26-28-61-53(36-43)55-39-65-32-30-63(55)69(61)47-16-11-17-48(38-47)70-62-29-27-44(37-54(62)56-40-66-33-31-64(56)70)42-13-10-15-46(35-42)68-59-24-7-3-20-51(59)52-21-4-8-25-60(52)68;1-2/h1-39,66H,40H2;1-2H3
InChIKeyNLBIWYAWEDCWLR-UHFFFAOYSA-N
MW925.15 g/mol
LogP16.75
Rot. Bonds6

About 8-(3-carbazol-9-ylphenyl)-5-[3-[8-(3-carbazol-9-ylphenyl)-1,2-dihydropyrido[4,3-b]indol-5-yl]phenyl]pyrido[4,3-b]indole;ethane

8-(3-carbazol-9-ylphenyl)-5-[3-[8-(3-carbazol-9-ylphenyl)-1,2-dihydropyrido[4,3-b]indol-5-yl]phenyl]pyrido[4,3-b]indole;ethane (PubChem CID 143802439) has the molecular formula C66H48N6 and a molecular weight of 925.15 g/mol. Its IUPAC name is 8-(3-carbazol-9-ylphenyl)-5-[3-[8-(3-carbazol-9-ylphenyl)-1,2-dihydropyrido[4,3-b]indol-5-yl]phenyl]pyrido[4,3-b]indole;ethane.

Molecular Properties

Compound Name8-(3-carbazol-9-ylphenyl)-5-[3-[8-(3-carbazol-9-ylphenyl)-1,2-dihydropyrido[4,3-b]indol-5-yl]phenyl]pyrido[4,3-b]indole;ethane
PubChem CID143802439
Molecular FormulaC66H48N6
Molecular Weight925.15 g/mol
Exact Mass924.39
IUPAC Name8-(3-carbazol-9-ylphenyl)-5-[3-[8-(3-carbazol-9-ylphenyl)-1,2-dihydropyrido[4,3-b]indol-5-yl]phenyl]pyrido[4,3-b]indole;ethane
SMILESC1=Cc2c(c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc3n2-c2cccc(-n3c4ccncc4c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc43)c2)CN1.CC
InChIInChI=1S/C64H42N6.C2H6/c1-5-22-57-49(18-1)50-19-2-6-23-58(50)67(57)45-14-9-12-41(34-45)43-26-28-61-53(36-43)55-39-65-32-30-63(55)69(61)47-16-11-17-48(38-47)70-62-29-27-44(37-54(62)56-40-66-33-31-64(56)70)42-13-10-15-46(35-42)68-59-24-7-3-20-51(59)52-21-4-8-25-60(52)68;1-2/h1-39,66H,40H2;1-2H3
InChIKeyNLBIWYAWEDCWLR-UHFFFAOYSA-N
XLogP16.75
TPSA44.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.15
LogP ≤ 516.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(3-carbazol-9-ylphenyl)-5-[3-[8-(3-carbazol-9-ylphenyl)-1,2-dihydropyrido[4,3-b]indol-5-yl]phenyl]pyrido[4,3-b]indole;ethane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-(3-carbazol-9-ylphenyl)-5-[3-[8-(3-carbazol-9-ylphenyl)-1,2-dihydropyrido[4,3-b]indol-5-yl]phenyl]pyrido[4,3-b]indole;ethane?
The IUPAC name of 8-(3-carbazol-9-ylphenyl)-5-[3-[8-(3-carbazol-9-ylphenyl)-1,2-dihydropyrido[4,3-b]indol-5-yl]phenyl]pyrido[4,3-b]indole;ethane (CID 143802439) is 8-(3-carbazol-9-ylphenyl)-5-[3-[8-(3-carbazol-9-ylphenyl)-1,2-dihydropyrido[4,3-b]indol-5-yl]phenyl]pyrido[4,3-b]indole;ethane.
What is the SMILES notation for 8-(3-carbazol-9-ylphenyl)-5-[3-[8-(3-carbazol-9-ylphenyl)-1,2-dihydropyrido[4,3-b]indol-5-yl]phenyl]pyrido[4,3-b]indole;ethane?
The canonical SMILES for 8-(3-carbazol-9-ylphenyl)-5-[3-[8-(3-carbazol-9-ylphenyl)-1,2-dihydropyrido[4,3-b]indol-5-yl]phenyl]pyrido[4,3-b]indole;ethane is C1=Cc2c(c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc3n2-c2cccc(-n3c4ccncc4c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc43)c2)CN1.CC.
What is the InChIKey of 8-(3-carbazol-9-ylphenyl)-5-[3-[8-(3-carbazol-9-ylphenyl)-1,2-dihydropyrido[4,3-b]indol-5-yl]phenyl]pyrido[4,3-b]indole;ethane?
The InChIKey is NLBIWYAWEDCWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N6.C2H6/c1-5-22-57-49(18-1)50-19-2-6-23-58(50)67(57)45-14-9-12-41(34-45)43-26-28-61-53(36-43)55-39-65-32-30-63(55)69(61)47-16-11-17-48(38-47)70-62-29-27-44(37-54(62)56-40-66-33-31-64(56)70)42-13-10-15-46(35-42)68-59-24-7-3-20-51(59)52-21-4-8-25-60(52)68;1-2/h1-39,66H,40H2;1-2H3.
What are the key properties of 8-(3-carbazol-9-ylphenyl)-5-[3-[8-(3-carbazol-9-ylphenyl)-1,2-dihydropyrido[4,3-b]indol-5-yl]phenyl]pyrido[4,3-b]indole;ethane?
8-(3-carbazol-9-ylphenyl)-5-[3-[8-(3-carbazol-9-ylphenyl)-1,2-dihydropyrido[4,3-b]indol-5-yl]phenyl]pyrido[4,3-b]indole;ethane has a molecular weight of 925.15 g/mol, XLogP of 16.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-carbazol-9-ylphenyl)-5-[3-[8-(3-carbazol-9-ylphenyl)-1,2-dihydropyrido[4,3-b]indol-5-yl]phenyl]pyrido[4,3-b]indole;ethane is sourced from PubChem (CID 143802439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).