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

C44H29N5 — CID 176750363

IUPAC9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole
SMILESc1ccc(-c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4n3)cc2)cc1
InChIInChI=1S/C44H29N5/c1-4-14-30(15-5-1)31-24-26-32(27-25-31)38-29-28-36-35-20-10-12-22-39(35)49(44(36)45-38)40-23-13-11-21-37(40)43-47-41(33-16-6-2-7-17-33)46-42(48-43)34-18-8-3-9-19-34/h1-29H
InChIKeyTWYTYOZFUWQRGH-UHFFFAOYSA-N
MW627.75 g/mol
LogP10.70
Rot. Bonds6

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

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole (PubChem CID 176750363) has the molecular formula C44H29N5 and a molecular weight of 627.75 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole
PubChem CID176750363
Molecular FormulaC44H29N5
Molecular Weight627.75 g/mol
Exact Mass627.24
IUPAC Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole
SMILESc1ccc(-c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4n3)cc2)cc1
InChIInChI=1S/C44H29N5/c1-4-14-30(15-5-1)31-24-26-32(27-25-31)38-29-28-36-35-20-10-12-22-39(35)49(44(36)45-38)40-23-13-11-21-37(40)43-47-41(33-16-6-2-7-17-33)46-42(48-43)34-18-8-3-9-19-34/h1-29H
InChIKeyTWYTYOZFUWQRGH-UHFFFAOYSA-N
XLogP10.70
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[2,3-b]indole
CID 176750374
boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158893462
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole
CID 176750330
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032295
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole
CID 174243956
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 169037362
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 169037460
9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169036954
5-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 146573174
9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401452
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole
CID 169037005

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole?
The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole (CID 176750363) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole is c1ccc(-c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4n3)cc2)cc1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole?
The InChIKey is TWYTYOZFUWQRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N5/c1-4-14-30(15-5-1)31-24-26-32(27-25-31)38-29-28-36-35-20-10-12-22-39(35)49(44(36)45-38)40-23-13-11-21-37(40)43-47-41(33-16-6-2-7-17-33)46-42(48-43)34-18-8-3-9-19-34/h1-29H.
What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole?
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole has a molecular weight of 627.75 g/mol, XLogP of 10.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole is sourced from PubChem (CID 176750363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).