5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole

C83H49N13 — CID 176634623

IUPAC5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
SMILESc1ccc(-c2nc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ncccc54)c3-n3c4ccccc4c4ncccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C83H49N13/c1-2-24-50(25-3-1)81-88-82(90-83(89-81)96-61-36-14-6-28-53(61)54-29-7-15-37-62(54)96)71-76(91-59-34-12-4-26-51(59)52-27-5-13-35-60(52)91)78(93-64-39-17-9-31-56(64)73-68(93)43-21-47-85-73)80(95-66-41-19-11-33-58(66)75-70(95)45-23-49-87-75)79(94-65-40-18-10-32-57(65)74-69(94)44-22-48-86-74)77(71)92-63-38-16-8-30-55(63)72-67(92)42-20-46-84-72/h1-49H
InChIKeyOZZZOHNHKLTHBG-UHFFFAOYSA-N
MW1228.40 g/mol
LogP19.37
Rot. Bonds8

About 5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole

5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole (PubChem CID 176634623) has the molecular formula C83H49N13 and a molecular weight of 1228.40 g/mol. Its IUPAC name is 5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
PubChem CID176634623
Molecular FormulaC83H49N13
Molecular Weight1228.40 g/mol
Exact Mass1227.42
IUPAC Name5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
SMILESc1ccc(-c2nc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ncccc54)c3-n3c4ccccc4c4ncccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C83H49N13/c1-2-24-50(25-3-1)81-88-82(90-83(89-81)96-61-36-14-6-28-53(61)54-29-7-15-37-62(54)96)71-76(91-59-34-12-4-26-51(59)52-27-5-13-35-60(52)91)78(93-64-39-17-9-31-56(64)73-68(93)43-21-47-85-73)80(95-66-41-19-11-33-58(66)75-70(95)45-23-49-87-75)79(94-65-40-18-10-32-57(65)74-69(94)44-22-48-86-74)77(71)92-63-38-16-8-30-55(63)72-67(92)42-20-46-84-72/h1-49H
InChIKeyOZZZOHNHKLTHBG-UHFFFAOYSA-N
XLogP19.37
TPSA119.81 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001228.40
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole with MolForge

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Related Compounds

9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole
CID 176634498
5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole
CID 131996675
9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole
CID 70836919
8-[2-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 135131420
8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 118104763
9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;9-(4-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 161196480
4-phenyl-17-pyrido[3,2-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 139484228
5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole
CID 163513367
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole
CID 151746168
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587602
3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 155138272
5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole
CID 163640640

Frequently Asked Questions

What is the IUPAC name of 5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole (CID 176634623) is 5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole is c1ccc(-c2nc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ncccc54)c3-n3c4ccccc4c4ncccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole?
The InChIKey is OZZZOHNHKLTHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H49N13/c1-2-24-50(25-3-1)81-88-82(90-83(89-81)96-61-36-14-6-28-53(61)54-29-7-15-37-62(54)96)71-76(91-59-34-12-4-26-51(59)52-27-5-13-35-60(52)91)78(93-64-39-17-9-31-56(64)73-68(93)43-21-47-85-73)80(95-66-41-19-11-33-58(66)75-70(95)45-23-49-87-75)79(94-65-40-18-10-32-57(65)74-69(94)44-22-48-86-74)77(71)92-63-38-16-8-30-55(63)72-67(92)42-20-46-84-72/h1-49H.
What are the key properties of 5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole?
5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole has a molecular weight of 1228.40 g/mol, XLogP of 19.37, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 176634623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).