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

C52H36N6 — CID 170153395

IUPAC9-[6-[4-[4-methyl-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole
SMILESCc1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccc(-n5c6ccccc6c6cccnc65)cc3n4-c3ccccc3)n2)ccc1C
InChIInChI=1S/C52H36N6/c1-33-14-9-10-19-40(33)44-30-36(24-23-34(44)2)50-54-49(35-15-5-3-6-16-35)55-51(56-50)37-25-28-47-45(31-37)42-27-26-39(32-48(42)57(47)38-17-7-4-8-18-38)58-46-22-12-11-20-41(46)43-21-13-29-53-52(43)58/h3-32H,1-2H3
InChIKeyDKFXUIXSSPOWOF-UHFFFAOYSA-N
MW744.90 g/mol
LogP12.75
Rot. Bonds6

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

9-[6-[4-[4-methyl-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole (PubChem CID 170153395) has the molecular formula C52H36N6 and a molecular weight of 744.90 g/mol. Its IUPAC name is 9-[6-[4-[4-methyl-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[6-[4-[4-methyl-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole
PubChem CID170153395
Molecular FormulaC52H36N6
Molecular Weight744.90 g/mol
Exact Mass744.30
IUPAC Name9-[6-[4-[4-methyl-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole
SMILESCc1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccc(-n5c6ccccc6c6cccnc65)cc3n4-c3ccccc3)n2)ccc1C
InChIInChI=1S/C52H36N6/c1-33-14-9-10-19-40(33)44-30-36(24-23-34(44)2)50-54-49(35-15-5-3-6-16-35)55-51(56-50)37-25-28-47-45(31-37)42-27-26-39(32-48(42)57(47)38-17-7-4-8-18-38)58-46-22-12-11-20-41(46)43-21-13-29-53-52(43)58/h3-32H,1-2H3
InChIKeyDKFXUIXSSPOWOF-UHFFFAOYSA-N
XLogP12.75
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.90
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]pyrido[2,3-b]indole
CID 156577699
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 139524704
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 121306370
7-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
CID 129221910
6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587515
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole
CID 156577704
7-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221779
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221371
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 159710225
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)carbazole
CID 146535538
8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;8-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylpyrido[2,3-b]indole;9-phenyl-8-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;9-phenyl-8-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole
CID 159351026
6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 157443985

Frequently Asked Questions

What is the IUPAC name of 9-[6-[4-[4-methyl-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole?
The IUPAC name of 9-[6-[4-[4-methyl-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole (CID 170153395) is 9-[6-[4-[4-methyl-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[6-[4-[4-methyl-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[6-[4-[4-methyl-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole is Cc1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccc(-n5c6ccccc6c6cccnc65)cc3n4-c3ccccc3)n2)ccc1C.
What is the InChIKey of 9-[6-[4-[4-methyl-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole?
The InChIKey is DKFXUIXSSPOWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N6/c1-33-14-9-10-19-40(33)44-30-36(24-23-34(44)2)50-54-49(35-15-5-3-6-16-35)55-51(56-50)37-25-28-47-45(31-37)42-27-26-39(32-48(42)57(47)38-17-7-4-8-18-38)58-46-22-12-11-20-41(46)43-21-13-29-53-52(43)58/h3-32H,1-2H3.
What are the key properties of 9-[6-[4-[4-methyl-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole?
9-[6-[4-[4-methyl-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole has a molecular weight of 744.90 g/mol, XLogP of 12.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[4-[4-methyl-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 170153395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).