6,10-bis(5-cyclohexa-1,5-dien-1-ylpyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C79H52N10 — CID 144585532

IUPAC6,10-bis(5-cyclohexa-1,5-dien-1-ylpyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC1=CC(n2c3ccncc3c3cc(-c4cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccc5)nc5c4Cc4c(-c6ccc7c(c6)c6cnccc6n7C6=CCCC=C6)cc(-c6ccc7c(c6)c6cnccc6n7-c6ccccc6)nc4-5)ccc32)=CCC1
InChIInChI=1S/C79H52N10/c1-5-13-52(14-6-1)86-70-25-21-48(37-58(70)64-44-80-33-29-74(64)86)56-42-68(50-23-27-72-60(39-50)66-46-82-35-31-76(66)88(72)54-17-9-3-10-18-54)84-78-62(56)41-63-57(49-22-26-71-59(38-49)65-45-81-34-30-75(65)87(71)53-15-7-2-8-16-53)43-69(85-79(63)78)51-24-28-73-61(40-51)67-47-83-36-32-77(67)89(73)55-19-11-4-12-20-55/h3-5,7,9-40,42-47H,1-2,6,8,41H2
InChIKeyRUJXOMQHBQBMPF-UHFFFAOYSA-N
MW1141.35 g/mol
LogP19.09
Rot. Bonds8

About 6,10-bis(5-cyclohexa-1,5-dien-1-ylpyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

6,10-bis(5-cyclohexa-1,5-dien-1-ylpyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 144585532) has the molecular formula C79H52N10 and a molecular weight of 1141.35 g/mol. Its IUPAC name is 6,10-bis(5-cyclohexa-1,5-dien-1-ylpyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name6,10-bis(5-cyclohexa-1,5-dien-1-ylpyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID144585532
Molecular FormulaC79H52N10
Molecular Weight1141.35 g/mol
Exact Mass1140.44
IUPAC Name6,10-bis(5-cyclohexa-1,5-dien-1-ylpyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC1=CC(n2c3ccncc3c3cc(-c4cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccc5)nc5c4Cc4c(-c6ccc7c(c6)c6cnccc6n7C6=CCCC=C6)cc(-c6ccc7c(c6)c6cnccc6n7-c6ccccc6)nc4-5)ccc32)=CCC1
InChIInChI=1S/C79H52N10/c1-5-13-52(14-6-1)86-70-25-21-48(37-58(70)64-44-80-33-29-74(64)86)56-42-68(50-23-27-72-60(39-50)66-46-82-35-31-76(66)88(72)54-17-9-3-10-18-54)84-78-62(56)41-63-57(49-22-26-71-59(38-49)65-45-81-34-30-75(65)87(71)53-15-7-2-8-16-53)43-69(85-79(63)78)51-24-28-73-61(40-51)67-47-83-36-32-77(67)89(73)55-19-11-4-12-20-55/h3-5,7,9-40,42-47H,1-2,6,8,41H2
InChIKeyRUJXOMQHBQBMPF-UHFFFAOYSA-N
XLogP19.09
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.35
LogP ≤ 519.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6,10-bis(5-cyclohexa-1,5-dien-1-ylpyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,10-bis(5-cyclohexa-1,5-dien-1-ylpyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 6,10-bis(5-cyclohexa-1,5-dien-1-ylpyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 144585532) is 6,10-bis(5-cyclohexa-1,5-dien-1-ylpyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 6,10-bis(5-cyclohexa-1,5-dien-1-ylpyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 6,10-bis(5-cyclohexa-1,5-dien-1-ylpyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is C1=CC(n2c3ccncc3c3cc(-c4cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccc5)nc5c4Cc4c(-c6ccc7c(c6)c6cnccc6n7C6=CCCC=C6)cc(-c6ccc7c(c6)c6cnccc6n7-c6ccccc6)nc4-5)ccc32)=CCC1.
What is the InChIKey of 6,10-bis(5-cyclohexa-1,5-dien-1-ylpyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is RUJXOMQHBQBMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H52N10/c1-5-13-52(14-6-1)86-70-25-21-48(37-58(70)64-44-80-33-29-74(64)86)56-42-68(50-23-27-72-60(39-50)66-46-82-35-31-76(66)88(72)54-17-9-3-10-18-54)84-78-62(56)41-63-57(49-22-26-71-59(38-49)65-45-81-34-30-75(65)87(71)53-15-7-2-8-16-53)43-69(85-79(63)78)51-24-28-73-61(40-51)67-47-83-36-32-77(67)89(73)55-19-11-4-12-20-55/h3-5,7,9-40,42-47H,1-2,6,8,41H2.
What are the key properties of 6,10-bis(5-cyclohexa-1,5-dien-1-ylpyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
6,10-bis(5-cyclohexa-1,5-dien-1-ylpyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 1141.35 g/mol, XLogP of 19.09, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-bis(5-cyclohexa-1,5-dien-1-ylpyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 144585532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).