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

C50H33N5 — CID 170659259

IUPAC9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]pyrido[2,3-b]indole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)c(-n5c6ccccc6c6cccnc65)c4)n3)cc2)cc1
InChIInChI=1S/C50H33N5/c1-4-13-34(14-5-1)36-22-26-39(27-23-36)47-52-48(40-28-24-37(25-29-40)35-15-6-2-7-16-35)54-49(53-47)41-30-31-42(38-17-8-3-9-18-38)46(33-41)55-45-21-11-10-19-43(45)44-20-12-32-51-50(44)55/h1-33H
InChIKeyBVMNYBFBNABPJI-UHFFFAOYSA-N
MW703.85 g/mol
LogP12.37
Rot. Bonds7

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

9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]pyrido[2,3-b]indole (PubChem CID 170659259) has the molecular formula C50H33N5 and a molecular weight of 703.85 g/mol. Its IUPAC name is 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]pyrido[2,3-b]indole
PubChem CID170659259
Molecular FormulaC50H33N5
Molecular Weight703.85 g/mol
Exact Mass703.27
IUPAC Name9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]pyrido[2,3-b]indole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)c(-n5c6ccccc6c6cccnc65)c4)n3)cc2)cc1
InChIInChI=1S/C50H33N5/c1-4-13-34(14-5-1)36-22-26-39(27-23-36)47-52-48(40-28-24-37(25-29-40)35-15-6-2-7-16-35)54-49(53-47)41-30-31-42(38-17-8-3-9-18-38)46(33-41)55-45-21-11-10-19-43(45)44-20-12-32-51-50(44)55/h1-33H
InChIKeyBVMNYBFBNABPJI-UHFFFAOYSA-N
XLogP12.37
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510
9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole
CID 70836919
9-[5-[4-[3-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 139303416
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
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole
CID 176634498
9-[3-[4-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 139303393
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole
CID 170539148
9-[2-(3,5-diphenylphenyl)-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658474
10-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 171748603
1-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 170096979

Frequently Asked Questions

What is the IUPAC name of 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]pyrido[2,3-b]indole?
The IUPAC name of 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]pyrido[2,3-b]indole (CID 170659259) is 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]pyrido[2,3-b]indole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)c(-n5c6ccccc6c6cccnc65)c4)n3)cc2)cc1.
What is the InChIKey of 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]pyrido[2,3-b]indole?
The InChIKey is BVMNYBFBNABPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5/c1-4-13-34(14-5-1)36-22-26-39(27-23-36)47-52-48(40-28-24-37(25-29-40)35-15-6-2-7-16-35)54-49(53-47)41-30-31-42(38-17-8-3-9-18-38)46(33-41)55-45-21-11-10-19-43(45)44-20-12-32-51-50(44)55/h1-33H.
What are the key properties of 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]pyrido[2,3-b]indole?
9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]pyrido[2,3-b]indole has a molecular weight of 703.85 g/mol, XLogP of 12.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 170659259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).