7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole

C45H31N5 — CID 146337552

IUPAC7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)=NC(c3cccc(-c4ccccc4)c3)N2)cc1
InChIInChI=1S/C45H31N5/c1-4-15-30(16-5-1)32-19-14-20-33(27-32)44-46-43(31-17-6-2-7-18-31)47-45(48-44)50-40-26-13-11-24-36(40)38-28-37-35-23-10-12-25-39(35)49(41(37)29-42(38)50)34-21-8-3-9-22-34/h1-29,44H,(H,46,47,48)
InChIKeyQIHYQTSNNQNQIU-UHFFFAOYSA-N
MW641.78 g/mol
LogP10.51
Rot. Bonds4

About 7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole

7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole (PubChem CID 146337552) has the molecular formula C45H31N5 and a molecular weight of 641.78 g/mol. Its IUPAC name is 7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
PubChem CID146337552
Molecular FormulaC45H31N5
Molecular Weight641.78 g/mol
Exact Mass641.26
IUPAC Name7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)=NC(c3cccc(-c4ccccc4)c3)N2)cc1
InChIInChI=1S/C45H31N5/c1-4-15-30(16-5-1)32-19-14-20-33(27-32)44-46-43(31-17-6-2-7-18-31)47-45(48-44)50-40-26-13-11-24-36(40)38-28-37-35-23-10-12-25-39(35)49(41(37)29-42(38)50)34-21-8-3-9-22-34/h1-29,44H,(H,46,47,48)
InChIKeyQIHYQTSNNQNQIU-UHFFFAOYSA-N
XLogP10.51
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.78
LogP ≤ 510.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

11-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 137220455
5-[3-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 145085378
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
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
12-phenyl-16-[3-[4-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 137246423
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
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
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
CID 144943204
12-(2-dibenzofuran-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 167203714
9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137220453
4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 137245379

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole?
The IUPAC name of 7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole (CID 146337552) is 7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole.
What is the SMILES notation for 7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole?
The canonical SMILES for 7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole is c1ccc(C2=NC(n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)=NC(c3cccc(-c4ccccc4)c3)N2)cc1.
What is the InChIKey of 7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole?
The InChIKey is QIHYQTSNNQNQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N5/c1-4-15-30(16-5-1)32-19-14-20-33(27-32)44-46-43(31-17-6-2-7-18-31)47-45(48-44)50-40-26-13-11-24-36(40)38-28-37-35-23-10-12-25-39(35)49(41(37)29-42(38)50)34-21-8-3-9-22-34/h1-29,44H,(H,46,47,48).
What are the key properties of 7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole?
7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole has a molecular weight of 641.78 g/mol, XLogP of 10.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole is sourced from PubChem (CID 146337552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).