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

C45H31N5 — CID 174276704

IUPAC3-(9H-carbazol-2-yl)-9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1-phenylcarbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc(-c5ccc6c(c5)[nH]c5ccccc56)cc(-c5ccccc5)c43)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C45H31N5/c1-4-14-29(15-5-1)37-26-33(32-24-25-35-34-20-10-12-22-39(34)46-40(35)28-32)27-38-36-21-11-13-23-41(36)50(42(37)38)45-48-43(30-16-6-2-7-17-30)47-44(49-45)31-18-8-3-9-19-31/h1-28,43,46H,(H,47,48,49)
InChIKeyJKNVCNHMUAEQDC-UHFFFAOYSA-N
MW641.78 g/mol
LogP10.72
Rot. Bonds4

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

3-(9H-carbazol-2-yl)-9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1-phenylcarbazole (PubChem CID 174276704) has the molecular formula C45H31N5 and a molecular weight of 641.78 g/mol. Its IUPAC name is 3-(9H-carbazol-2-yl)-9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1-phenylcarbazole.

Molecular Properties

Compound Name3-(9H-carbazol-2-yl)-9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1-phenylcarbazole
PubChem CID174276704
Molecular FormulaC45H31N5
Molecular Weight641.78 g/mol
Exact Mass641.26
IUPAC Name3-(9H-carbazol-2-yl)-9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1-phenylcarbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc(-c5ccc6c(c5)[nH]c5ccccc56)cc(-c5ccccc5)c43)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C45H31N5/c1-4-14-29(15-5-1)37-26-33(32-24-25-35-34-20-10-12-22-39(34)46-40(35)28-32)27-38-36-21-11-13-23-41(36)50(42(37)38)45-48-43(30-16-6-2-7-17-30)47-44(49-45)31-18-8-3-9-19-31/h1-28,43,46H,(H,47,48,49)
InChIKeyJKNVCNHMUAEQDC-UHFFFAOYSA-N
XLogP10.72
TPSA57.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.78
LogP ≤ 510.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137198394
9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-14-(2,5-diphenylphenyl)-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 167154552
11-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 137220455
3-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 146648799
3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole
CID 154618864
7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214911
7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
CID 146337552
7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole
CID 137214887
3-[8-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 155077354
2,6-di(carbazol-9-yl)-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole
CID 153304562
9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole
CID 166961274
9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-[3-(3-triphenylen-2-ylphenyl)phenyl]carbazole
CID 137208682

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-2-yl)-9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1-phenylcarbazole?
The IUPAC name of 3-(9H-carbazol-2-yl)-9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1-phenylcarbazole (CID 174276704) is 3-(9H-carbazol-2-yl)-9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1-phenylcarbazole.
What is the SMILES notation for 3-(9H-carbazol-2-yl)-9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1-phenylcarbazole?
The canonical SMILES for 3-(9H-carbazol-2-yl)-9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1-phenylcarbazole is c1ccc(C2=NC(n3c4ccccc4c4cc(-c5ccc6c(c5)[nH]c5ccccc56)cc(-c5ccccc5)c43)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 3-(9H-carbazol-2-yl)-9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1-phenylcarbazole?
The InChIKey is JKNVCNHMUAEQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N5/c1-4-14-29(15-5-1)37-26-33(32-24-25-35-34-20-10-12-22-39(34)46-40(35)28-32)27-38-36-21-11-13-23-41(36)50(42(37)38)45-48-43(30-16-6-2-7-17-30)47-44(49-45)31-18-8-3-9-19-31/h1-28,43,46H,(H,47,48,49).
What are the key properties of 3-(9H-carbazol-2-yl)-9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1-phenylcarbazole?
3-(9H-carbazol-2-yl)-9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1-phenylcarbazole has a molecular weight of 641.78 g/mol, XLogP of 10.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-2-yl)-9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1-phenylcarbazole is sourced from PubChem (CID 174276704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).