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

C44H28N6 — CID 176634797

IUPAC5-[2-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4cnccc43)nc(-n3c4ccccc4c4c(-c5ccccc5)cccc43)n2)cc1
InChIInChI=1S/C44H28N6/c1-3-14-29(15-4-1)31-21-13-25-40-41(31)33-19-8-11-23-37(33)50(40)44-47-42(30-16-5-2-6-17-30)46-43(48-44)34-20-9-12-24-38(34)49-36-22-10-7-18-32(36)35-28-45-27-26-39(35)49/h1-28H
InChIKeyQTYZTPOOTWHXIQ-UHFFFAOYSA-N
MW640.75 g/mol
LogP10.46
Rot. Bonds5

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

5-[2-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole (PubChem CID 176634797) has the molecular formula C44H28N6 and a molecular weight of 640.75 g/mol. Its IUPAC name is 5-[2-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[2-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
PubChem CID176634797
Molecular FormulaC44H28N6
Molecular Weight640.75 g/mol
Exact Mass640.24
IUPAC Name5-[2-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4cnccc43)nc(-n3c4ccccc4c4c(-c5ccccc5)cccc43)n2)cc1
InChIInChI=1S/C44H28N6/c1-3-14-29(15-4-1)31-21-13-25-40-41(31)33-19-8-11-23-37(33)50(40)44-47-42(30-16-5-2-6-17-30)46-43(48-44)34-20-9-12-24-38(34)49-36-22-10-7-18-32(36)35-28-45-27-26-39(35)49/h1-28H
InChIKeyQTYZTPOOTWHXIQ-UHFFFAOYSA-N
XLogP10.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
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
9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 170669730
5-[2-[4-[4-(9,9-dimethylfluoren-4-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
CID 176634805
9-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole
CID 176634742
9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 147194061
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-phenylpyrido[4,3-b]indole
CID 129221745
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
9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-4-yl]carbazole
CID 176871191
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 169037359
4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032359
9-[4-(9-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 163690161

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[2-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole (CID 176634797) is 5-[2-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[2-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[2-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole is c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4cnccc43)nc(-n3c4ccccc4c4c(-c5ccccc5)cccc43)n2)cc1.
What is the InChIKey of 5-[2-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole?
The InChIKey is QTYZTPOOTWHXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N6/c1-3-14-29(15-4-1)31-21-13-25-40-41(31)33-19-8-11-23-37(33)50(40)44-47-42(30-16-5-2-6-17-30)46-43(48-44)34-20-9-12-24-38(34)49-36-22-10-7-18-32(36)35-28-45-27-26-39(35)49/h1-28H.
What are the key properties of 5-[2-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole?
5-[2-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole has a molecular weight of 640.75 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 176634797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).