4-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-9H-carbazole

C45H29N5 — CID 163998783

IUPAC4-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-9H-carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)c3c(c2)[nH]c2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)cc1
InChIInChI=1S/C45H29N5/c1-4-15-29(16-5-1)32-27-37-42(40(28-32)50-38-25-12-10-21-33(38)34-22-11-13-26-39(34)50)41-35(23-14-24-36(41)46-37)45-48-43(30-17-6-2-7-18-30)47-44(49-45)31-19-8-3-9-20-31/h1-28,46H
InChIKeyUHBQOACDUCAMSF-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.27
Rot. Bonds5

About 4-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-9H-carbazole

4-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-9H-carbazole (PubChem CID 163998783) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 4-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-9H-carbazole.

Molecular Properties

Compound Name4-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-9H-carbazole
PubChem CID163998783
Molecular FormulaC45H29N5
Molecular Weight639.76 g/mol
Exact Mass639.24
IUPAC Name4-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-9H-carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)c3c(c2)[nH]c2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)cc1
InChIInChI=1S/C45H29N5/c1-4-15-29(16-5-1)32-27-37-42(40(28-32)50-38-25-12-10-21-33(38)34-22-11-13-26-39(34)50)41-35(23-14-24-36(41)46-37)45-48-43(30-17-6-2-7-18-30)47-44(49-45)31-19-8-3-9-20-31/h1-28,46H
InChIKeyUHBQOACDUCAMSF-UHFFFAOYSA-N
XLogP11.27
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 511.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(7-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
CID 167628015
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146472254
9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 166495909
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole
CID 166496047
9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 168801599
9-[2-(3,5-diphenylphenyl)-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658474
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-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032295
9-[5-carbazol-9-yl-2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 135131262
boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158893462
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole
CID 177099854

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-9H-carbazole?
The IUPAC name of 4-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-9H-carbazole (CID 163998783) is 4-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-9H-carbazole.
What is the SMILES notation for 4-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-9H-carbazole?
The canonical SMILES for 4-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-9H-carbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)c3c(c2)[nH]c2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)cc1.
What is the InChIKey of 4-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-9H-carbazole?
The InChIKey is UHBQOACDUCAMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-4-15-29(16-5-1)32-27-37-42(40(28-32)50-38-25-12-10-21-33(38)34-22-11-13-26-39(34)50)41-35(23-14-24-36(41)46-37)45-48-43(30-17-6-2-7-18-30)47-44(49-45)31-19-8-3-9-20-31/h1-28,46H.
What are the key properties of 4-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-9H-carbazole?
4-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-9H-carbazole has a molecular weight of 639.76 g/mol, XLogP of 11.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-9H-carbazole is sourced from PubChem (CID 163998783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).