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

C49H30N8 — CID 176634658

IUPAC5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2nc(-c3cc(-n4c5ccccc5c5cnccc54)ccc3-n3c4ccccc4c4cnccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C49H30N8/c1-2-12-31(13-3-1)47-52-48(54-49(53-47)57-42-20-10-4-14-33(42)34-15-5-11-21-43(34)57)37-28-32(55-40-18-8-6-16-35(40)38-29-50-26-24-45(38)55)22-23-44(37)56-41-19-9-7-17-36(41)39-30-51-27-25-46(39)56/h1-30H
InChIKeyWDCSRRXKOANUGD-UHFFFAOYSA-N
MW730.84 g/mol
LogP11.29
Rot. Bonds5

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

5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole (PubChem CID 176634658) has the molecular formula C49H30N8 and a molecular weight of 730.84 g/mol. Its IUPAC name is 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole
PubChem CID176634658
Molecular FormulaC49H30N8
Molecular Weight730.84 g/mol
Exact Mass730.26
IUPAC Name5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2nc(-c3cc(-n4c5ccccc5c5cnccc54)ccc3-n3c4ccccc4c4cnccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C49H30N8/c1-2-12-31(13-3-1)47-52-48(54-49(53-47)57-42-20-10-4-14-33(42)34-15-5-11-21-43(34)57)37-28-32(55-40-18-8-6-16-35(40)38-29-50-26-24-45(38)55)22-23-44(37)56-41-19-9-7-17-36(41)39-30-51-27-25-46(39)56/h1-30H
InChIKeyWDCSRRXKOANUGD-UHFFFAOYSA-N
XLogP11.29
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.84
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pyrido[4,3-b]indole
CID 176634765
9-[2-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-4-carbazol-9-ylphenyl]carbazole
CID 148501537
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421301
5-[2-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
CID 176634797
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole;8-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylpyrido[4,3-b]indole;5-phenyl-8-(9-phenylcarbazol-3-yl)pyrido[4,3-b]indole
CID 157480501
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 146409650
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole
CID 138579049
8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole
CID 135252602
2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole
CID 167262180
5-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
CID 176634502
3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane
CID 142560210

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole (CID 176634658) is 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole is c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5cnccc54)ccc3-n3c4ccccc4c4cnccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole?
The InChIKey is WDCSRRXKOANUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N8/c1-2-12-31(13-3-1)47-52-48(54-49(53-47)57-42-20-10-4-14-33(42)34-15-5-11-21-43(34)57)37-28-32(55-40-18-8-6-16-35(40)38-29-50-26-24-45(38)55)22-23-44(37)56-41-19-9-7-17-36(41)39-30-51-27-25-46(39)56/h1-30H.
What are the key properties of 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole?
5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole has a molecular weight of 730.84 g/mol, XLogP of 11.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 176634658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).