3-[5-[4-[4-[4-(3-phenylpyrrolo[2,3-b]indol-4-yl)phenyl]phenyl]pyrrolo[2,3-b]indol-3-yl]cyclohexa-1,3-dien-1-yl]-9-(3-pyrido[3,2-b]indol-5-yl-5-pyrido[4,3-b]indol-5-ylphenyl)pyrido[3,4-b]indole

C83H54N10 — CID 163483424

IUPAC3-[5-[4-[4-[4-(3-phenylpyrrolo[2,3-b]indol-4-yl)phenyl]phenyl]pyrrolo[2,3-b]indol-3-yl]cyclohexa-1,3-dien-1-yl]-9-(3-pyrido[3,2-b]indol-5-yl-5-pyrido[4,3-b]indol-5-ylphenyl)pyrido[3,4-b]indole
SMILESC1=CC(n2ccc3c4ccccc4n(-c4ccc(-c5ccc(-n6c7ccccc7c7ccn(-c8ccccc8)c76)cc5)cc4)c32)CC(c2cc3c4ccccc4n(-c4cc(-n5c6ccccc6c6cnccc65)cc(-n5c6ccccc6c6ncccc65)c4)c3cn2)=C1
InChIInChI=1S/C83H54N10/c1-2-17-56(18-3-1)87-44-40-67-63-20-4-11-27-75(63)92(82(67)87)57-35-31-53(32-36-57)54-33-37-58(38-34-54)93-76-28-12-5-21-64(76)68-41-45-88(83(68)93)59-19-14-16-55(46-59)72-50-70-65-22-6-9-25-73(65)91(80(70)52-86-72)62-48-60(89-74-26-10-7-23-66(74)71-51-84-43-39-78(71)89)47-61(49-62)90-77-29-13-8-24-69(77)81-79(90)30-15-42-85-81/h1-45,47-52,59H,46H2
InChIKeyCGMXWYSEHOADIA-UHFFFAOYSA-N
MW1191.41 g/mol
LogP20.20
Rot. Bonds9

About 3-[5-[4-[4-[4-(3-phenylpyrrolo[2,3-b]indol-4-yl)phenyl]phenyl]pyrrolo[2,3-b]indol-3-yl]cyclohexa-1,3-dien-1-yl]-9-(3-pyrido[3,2-b]indol-5-yl-5-pyrido[4,3-b]indol-5-ylphenyl)pyrido[3,4-b]indole

3-[5-[4-[4-[4-(3-phenylpyrrolo[2,3-b]indol-4-yl)phenyl]phenyl]pyrrolo[2,3-b]indol-3-yl]cyclohexa-1,3-dien-1-yl]-9-(3-pyrido[3,2-b]indol-5-yl-5-pyrido[4,3-b]indol-5-ylphenyl)pyrido[3,4-b]indole (PubChem CID 163483424) has the molecular formula C83H54N10 and a molecular weight of 1191.41 g/mol. Its IUPAC name is 3-[5-[4-[4-[4-(3-phenylpyrrolo[2,3-b]indol-4-yl)phenyl]phenyl]pyrrolo[2,3-b]indol-3-yl]cyclohexa-1,3-dien-1-yl]-9-(3-pyrido[3,2-b]indol-5-yl-5-pyrido[4,3-b]indol-5-ylphenyl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name3-[5-[4-[4-[4-(3-phenylpyrrolo[2,3-b]indol-4-yl)phenyl]phenyl]pyrrolo[2,3-b]indol-3-yl]cyclohexa-1,3-dien-1-yl]-9-(3-pyrido[3,2-b]indol-5-yl-5-pyrido[4,3-b]indol-5-ylphenyl)pyrido[3,4-b]indole
PubChem CID163483424
Molecular FormulaC83H54N10
Molecular Weight1191.41 g/mol
Exact Mass1190.45
IUPAC Name3-[5-[4-[4-[4-(3-phenylpyrrolo[2,3-b]indol-4-yl)phenyl]phenyl]pyrrolo[2,3-b]indol-3-yl]cyclohexa-1,3-dien-1-yl]-9-(3-pyrido[3,2-b]indol-5-yl-5-pyrido[4,3-b]indol-5-ylphenyl)pyrido[3,4-b]indole
SMILESC1=CC(n2ccc3c4ccccc4n(-c4ccc(-c5ccc(-n6c7ccccc7c7ccn(-c8ccccc8)c76)cc5)cc4)c32)CC(c2cc3c4ccccc4n(-c4cc(-n5c6ccccc6c6cnccc65)cc(-n5c6ccccc6c6ncccc65)c4)c3cn2)=C1
InChIInChI=1S/C83H54N10/c1-2-17-56(18-3-1)87-44-40-67-63-20-4-11-27-75(63)92(82(67)87)57-35-31-53(32-36-57)54-33-37-58(38-34-54)93-76-28-12-5-21-64(76)68-41-45-88(83(68)93)59-19-14-16-55(46-59)72-50-70-65-22-6-9-25-73(65)91(80(70)52-86-72)62-48-60(89-74-26-10-7-23-66(74)71-51-84-43-39-78(71)89)47-61(49-62)90-77-29-13-8-24-69(77)81-79(90)30-15-42-85-81/h1-45,47-52,59H,46H2
InChIKeyCGMXWYSEHOADIA-UHFFFAOYSA-N
XLogP20.20
TPSA73.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001191.41
LogP ≤ 520.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[5-[4-[4-[4-(3-phenylpyrrolo[2,3-b]indol-4-yl)phenyl]phenyl]pyrrolo[2,3-b]indol-3-yl]cyclohexa-1,3-dien-1-yl]-9-(3-pyrido[3,2-b]indol-5-yl-5-pyrido[4,3-b]indol-5-ylphenyl)pyrido[3,4-b]indole with MolForge

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Related Compounds

5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 58099053
5-[4-[6-[6-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 58098979
8-[4-[4-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517438
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-phenyl-9-[3-[3-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole;5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole;8-[3-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158224588
5-phenyl-8-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[4,3-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[4,3-b]indole
CID 159102469
5-[3-[6-[6-(3-pyrido[3,4-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[3-[6-[6-(3-pyrido[3,4-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[3-[6-[6-(3-pyrido[4,3-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 158851264
5-[4-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]pyrido[3,2-b]indole
CID 147682919
7-phenyl-10-(7-phenylindolo[2,3-c]quinolin-10-yl)indolo[2,3-c]quinoline;7-phenyl-10-(5-phenylpyrido[3,2-b]indol-8-yl)indolo[2,3-c]quinoline;7-phenyl-10-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[2,3-c]quinoline
CID 159077338
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587633
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
12-(4-phenylphenyl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)indolo[3,2-c]carbazole;12-(4-phenylphenyl)-5-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole
CID 158424691

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-[4-[4-(3-phenylpyrrolo[2,3-b]indol-4-yl)phenyl]phenyl]pyrrolo[2,3-b]indol-3-yl]cyclohexa-1,3-dien-1-yl]-9-(3-pyrido[3,2-b]indol-5-yl-5-pyrido[4,3-b]indol-5-ylphenyl)pyrido[3,4-b]indole?
The IUPAC name of 3-[5-[4-[4-[4-(3-phenylpyrrolo[2,3-b]indol-4-yl)phenyl]phenyl]pyrrolo[2,3-b]indol-3-yl]cyclohexa-1,3-dien-1-yl]-9-(3-pyrido[3,2-b]indol-5-yl-5-pyrido[4,3-b]indol-5-ylphenyl)pyrido[3,4-b]indole (CID 163483424) is 3-[5-[4-[4-[4-(3-phenylpyrrolo[2,3-b]indol-4-yl)phenyl]phenyl]pyrrolo[2,3-b]indol-3-yl]cyclohexa-1,3-dien-1-yl]-9-(3-pyrido[3,2-b]indol-5-yl-5-pyrido[4,3-b]indol-5-ylphenyl)pyrido[3,4-b]indole.
What is the SMILES notation for 3-[5-[4-[4-[4-(3-phenylpyrrolo[2,3-b]indol-4-yl)phenyl]phenyl]pyrrolo[2,3-b]indol-3-yl]cyclohexa-1,3-dien-1-yl]-9-(3-pyrido[3,2-b]indol-5-yl-5-pyrido[4,3-b]indol-5-ylphenyl)pyrido[3,4-b]indole?
The canonical SMILES for 3-[5-[4-[4-[4-(3-phenylpyrrolo[2,3-b]indol-4-yl)phenyl]phenyl]pyrrolo[2,3-b]indol-3-yl]cyclohexa-1,3-dien-1-yl]-9-(3-pyrido[3,2-b]indol-5-yl-5-pyrido[4,3-b]indol-5-ylphenyl)pyrido[3,4-b]indole is C1=CC(n2ccc3c4ccccc4n(-c4ccc(-c5ccc(-n6c7ccccc7c7ccn(-c8ccccc8)c76)cc5)cc4)c32)CC(c2cc3c4ccccc4n(-c4cc(-n5c6ccccc6c6cnccc65)cc(-n5c6ccccc6c6ncccc65)c4)c3cn2)=C1.
What is the InChIKey of 3-[5-[4-[4-[4-(3-phenylpyrrolo[2,3-b]indol-4-yl)phenyl]phenyl]pyrrolo[2,3-b]indol-3-yl]cyclohexa-1,3-dien-1-yl]-9-(3-pyrido[3,2-b]indol-5-yl-5-pyrido[4,3-b]indol-5-ylphenyl)pyrido[3,4-b]indole?
The InChIKey is CGMXWYSEHOADIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H54N10/c1-2-17-56(18-3-1)87-44-40-67-63-20-4-11-27-75(63)92(82(67)87)57-35-31-53(32-36-57)54-33-37-58(38-34-54)93-76-28-12-5-21-64(76)68-41-45-88(83(68)93)59-19-14-16-55(46-59)72-50-70-65-22-6-9-25-73(65)91(80(70)52-86-72)62-48-60(89-74-26-10-7-23-66(74)71-51-84-43-39-78(71)89)47-61(49-62)90-77-29-13-8-24-69(77)81-79(90)30-15-42-85-81/h1-45,47-52,59H,46H2.
What are the key properties of 3-[5-[4-[4-[4-(3-phenylpyrrolo[2,3-b]indol-4-yl)phenyl]phenyl]pyrrolo[2,3-b]indol-3-yl]cyclohexa-1,3-dien-1-yl]-9-(3-pyrido[3,2-b]indol-5-yl-5-pyrido[4,3-b]indol-5-ylphenyl)pyrido[3,4-b]indole?
3-[5-[4-[4-[4-(3-phenylpyrrolo[2,3-b]indol-4-yl)phenyl]phenyl]pyrrolo[2,3-b]indol-3-yl]cyclohexa-1,3-dien-1-yl]-9-(3-pyrido[3,2-b]indol-5-yl-5-pyrido[4,3-b]indol-5-ylphenyl)pyrido[3,4-b]indole has a molecular weight of 1191.41 g/mol, XLogP of 20.20, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-[4-[4-(3-phenylpyrrolo[2,3-b]indol-4-yl)phenyl]phenyl]pyrrolo[2,3-b]indol-3-yl]cyclohexa-1,3-dien-1-yl]-9-(3-pyrido[3,2-b]indol-5-yl-5-pyrido[4,3-b]indol-5-ylphenyl)pyrido[3,4-b]indole is sourced from PubChem (CID 163483424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).