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

C44H29N5 — CID 176750374

IUPAC2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[2,3-b]indole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5ccc(-c6ccccc6)nc54)n3)c2)cc1
InChIInChI=1S/C44H29N5/c1-4-15-30(16-5-1)33-21-14-22-34(29-33)42-46-41(32-19-8-3-9-20-32)47-43(48-42)37-24-11-13-26-40(37)49-39-25-12-10-23-35(39)36-27-28-38(45-44(36)49)31-17-6-2-7-18-31/h1-29H
InChIKeyAQCQMCTZMSHRLG-UHFFFAOYSA-N
MW627.75 g/mol
LogP10.70
Rot. Bonds6

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

2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[2,3-b]indole (PubChem CID 176750374) has the molecular formula C44H29N5 and a molecular weight of 627.75 g/mol. Its IUPAC name is 2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[2,3-b]indole
PubChem CID176750374
Molecular FormulaC44H29N5
Molecular Weight627.75 g/mol
Exact Mass627.24
IUPAC Name2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[2,3-b]indole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5ccc(-c6ccccc6)nc54)n3)c2)cc1
InChIInChI=1S/C44H29N5/c1-4-15-30(16-5-1)33-21-14-22-34(29-33)42-46-41(32-19-8-3-9-20-32)47-43(48-42)37-24-11-13-26-40(37)49-39-25-12-10-23-35(39)36-27-28-38(45-44(36)49)31-17-6-2-7-18-31/h1-29H
InChIKeyAQCQMCTZMSHRLG-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

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Related Compounds

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole
CID 176750363
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-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]carbazole
CID 168801597
11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole
CID 169037058
9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole
CID 168801567
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 169036916
11-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 175616505
9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 168801599
boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158893462
9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 139303113
9-[5-phenyl-2-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658891
9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-[2-(6-phenyl-2-pyridinyl)phenyl]-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 169037372

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[2,3-b]indole?
The IUPAC name of 2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[2,3-b]indole (CID 176750374) is 2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[2,3-b]indole.
What is the SMILES notation for 2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[2,3-b]indole?
The canonical SMILES for 2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[2,3-b]indole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5ccc(-c6ccccc6)nc54)n3)c2)cc1.
What is the InChIKey of 2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[2,3-b]indole?
The InChIKey is AQCQMCTZMSHRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N5/c1-4-15-30(16-5-1)33-21-14-22-34(29-33)42-46-41(32-19-8-3-9-20-32)47-43(48-42)37-24-11-13-26-40(37)49-39-25-12-10-23-35(39)36-27-28-38(45-44(36)49)31-17-6-2-7-18-31/h1-29H.
What are the key properties of 2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[2,3-b]indole?
2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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 2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 176750374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).