1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole

C87H53N7 — CID 175869381

IUPAC1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(C2=C(c3ccccc3)N(c3c4c(cc(-c5ccccc5)c3-c3ccccc3-c3ccccc3)N=c3ccc5c(c3-4)N=c3ccccc3=5)NN=C2c2c3c(cc(-c4ccccc4)c2-c2ccccc2-c2ccccc2)N=c2ccc4c(c2-3)N=c2ccccc2=4)cc1
InChIInChI=1S/C87H53N7/c1-7-27-53(28-8-1)59-39-19-21-43-63(59)76-67(55-31-11-3-12-32-55)51-73-78(79-71(88-73)49-47-65-61-41-23-25-45-69(61)90-83(65)79)82(76)85-75(57-35-15-5-16-36-57)86(58-37-17-6-18-38-58)94(93-92-85)87-77(64-44-22-20-40-60(64)54-29-9-2-10-30-54)68(56-33-13-4-14-34-56)52-74-81(87)80-72(89-74)50-48-66-62-42-24-26-46-70(62)91-84(66)80/h1-52,93H
InChIKeyJJWKMROMIUSBRU-UHFFFAOYSA-N
MW1196.43 g/mol
LogP18.95
Rot. Bonds10

About 1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole

1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 175869381) has the molecular formula C87H53N7 and a molecular weight of 1196.43 g/mol. Its IUPAC name is 1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole
PubChem CID175869381
Molecular FormulaC87H53N7
Molecular Weight1196.43 g/mol
Exact Mass1195.44
IUPAC Name1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(C2=C(c3ccccc3)N(c3c4c(cc(-c5ccccc5)c3-c3ccccc3-c3ccccc3)N=c3ccc5c(c3-4)N=c3ccccc3=5)NN=C2c2c3c(cc(-c4ccccc4)c2-c2ccccc2-c2ccccc2)N=c2ccc4c(c2-3)N=c2ccccc2=4)cc1
InChIInChI=1S/C87H53N7/c1-7-27-53(28-8-1)59-39-19-21-43-63(59)76-67(55-31-11-3-12-32-55)51-73-78(79-71(88-73)49-47-65-61-41-23-25-45-69(61)90-83(65)79)82(76)85-75(57-35-15-5-16-36-57)86(58-37-17-6-18-38-58)94(93-92-85)87-77(64-44-22-20-40-60(64)54-29-9-2-10-30-54)68(56-33-13-4-14-34-56)52-74-81(87)80-72(89-74)50-48-66-62-42-24-26-46-70(62)91-84(66)80/h1-52,93H
InChIKeyJJWKMROMIUSBRU-UHFFFAOYSA-N
XLogP18.95
TPSA77.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001196.43
LogP ≤ 518.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole (CID 175869381) is 1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole is c1ccc(C2=C(c3ccccc3)N(c3c4c(cc(-c5ccccc5)c3-c3ccccc3-c3ccccc3)N=c3ccc5c(c3-4)N=c3ccccc3=5)NN=C2c2c3c(cc(-c4ccccc4)c2-c2ccccc2-c2ccccc2)N=c2ccc4c(c2-3)N=c2ccccc2=4)cc1.
What is the InChIKey of 1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is JJWKMROMIUSBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H53N7/c1-7-27-53(28-8-1)59-39-19-21-43-63(59)76-67(55-31-11-3-12-32-55)51-73-78(79-71(88-73)49-47-65-61-41-23-25-45-69(61)90-83(65)79)82(76)85-75(57-35-15-5-16-36-57)86(58-37-17-6-18-38-58)94(93-92-85)87-77(64-44-22-20-40-60(64)54-29-9-2-10-30-54)68(56-33-13-4-14-34-56)52-74-81(87)80-72(89-74)50-48-66-62-42-24-26-46-70(62)91-84(66)80/h1-52,93H.
What are the key properties of 1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole?
1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 1196.43 g/mol, XLogP of 18.95, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 175869381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).