9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole

C124H80N12 — CID 158468921

IUPAC9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cccc6c5c5ncccc5n6-c5ccccc5)cc43)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc6c5c5ncccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-n2c3cccnc3c3c(-c4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c4)cccc32)cc1
InChIInChI=1S/C44H28N6.C41H27N3.C39H25N3/c1-4-14-29(15-5-1)42-46-43(30-16-6-2-7-17-30)48-44(47-42)50-36-22-11-10-20-34(36)35-26-25-31(28-39(35)50)33-21-12-23-37-40(33)41-38(24-13-27-45-41)49(37)32-18-8-3-9-19-32;1-3-11-28(12-4-1)29-20-23-32(24-21-29)43-36-17-8-7-15-34(36)35-25-22-30(27-39(35)43)33-16-9-18-37-40(33)41-38(19-10-26-42-41)44(37)31-13-5-2-6-14-31;1-2-12-29(13-3-1)41-35-17-8-15-31(38(35)39-36(41)18-9-23-40-39)28-20-22-33-32-14-6-7-16-34(32)42(37(33)25-28)30-21-19-26-10-4-5-11-27(26)24-30/h1-28H;1-27H;1-25H
InChIKeyHGCJCQPBEQUSSL-UHFFFAOYSA-N
MW1738.09 g/mol
LogP31.17
Rot. Bonds12

About 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole

9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole (PubChem CID 158468921) has the molecular formula C124H80N12 and a molecular weight of 1738.09 g/mol. Its IUPAC name is 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
PubChem CID158468921
Molecular FormulaC124H80N12
Molecular Weight1738.09 g/mol
Exact Mass1736.66
IUPAC Name9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cccc6c5c5ncccc5n6-c5ccccc5)cc43)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc6c5c5ncccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-n2c3cccnc3c3c(-c4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c4)cccc32)cc1
InChIInChI=1S/C44H28N6.C41H27N3.C39H25N3/c1-4-14-29(15-5-1)42-46-43(30-16-6-2-7-17-30)48-44(47-42)50-36-22-11-10-20-34(36)35-26-25-31(28-39(35)50)33-21-12-23-37-40(33)41-38(24-13-27-45-41)49(37)32-18-8-3-9-19-32;1-3-11-28(12-4-1)29-20-23-32(24-21-29)43-36-17-8-7-15-34(36)35-25-22-30(27-39(35)43)33-16-9-18-37-40(33)41-38(19-10-26-42-41)44(37)31-13-5-2-6-14-31;1-2-12-29(13-3-1)41-35-17-8-15-31(38(35)39-36(41)18-9-23-40-39)28-20-22-33-32-14-6-7-16-34(32)42(37(33)25-28)30-21-19-26-10-4-5-11-27(26)24-30/h1-28H;1-27H;1-25H
InChIKeyHGCJCQPBEQUSSL-UHFFFAOYSA-N
XLogP31.17
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms136
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001738.09
LogP ≤ 531.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole?
The IUPAC name of 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole (CID 158468921) is 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole.
What is the SMILES notation for 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole?
The canonical SMILES for 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cccc6c5c5ncccc5n6-c5ccccc5)cc43)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc6c5c5ncccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-n2c3cccnc3c3c(-c4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c4)cccc32)cc1.
What is the InChIKey of 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole?
The InChIKey is HGCJCQPBEQUSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N6.C41H27N3.C39H25N3/c1-4-14-29(15-5-1)42-46-43(30-16-6-2-7-17-30)48-44(47-42)50-36-22-11-10-20-34(36)35-26-25-31(28-39(35)50)33-21-12-23-37-40(33)41-38(24-13-27-45-41)49(37)32-18-8-3-9-19-32;1-3-11-28(12-4-1)29-20-23-32(24-21-29)43-36-17-8-7-15-34(36)35-25-22-30(27-39(35)43)33-16-9-18-37-40(33)41-38(19-10-26-42-41)44(37)31-13-5-2-6-14-31;1-2-12-29(13-3-1)41-35-17-8-15-31(38(35)39-36(41)18-9-23-40-39)28-20-22-33-32-14-6-7-16-34(32)42(37(33)25-28)30-21-19-26-10-4-5-11-27(26)24-30/h1-28H;1-27H;1-25H.
What are the key properties of 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole?
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole has a molecular weight of 1738.09 g/mol, XLogP of 31.17, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole is sourced from PubChem (CID 158468921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).