5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole

C46H36N4 — CID 144976207

IUPAC5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole
SMILESC1=CCCC(C2NC(c3ccccc3)=NC(n3c4ccccc4c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)N2)=C1
InChIInChI=1S/C46H36N4/c1-5-17-31(18-6-1)43-47-44(32-19-7-2-8-20-32)49-45(48-43)50-41-28-16-14-26-36(41)38-29-37-35-25-13-15-27-39(35)46(40(37)30-42(38)50,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-7,9-19,21-30,44-45,49H,8,20H2,(H,47,48)
InChIKeyWVQKOXJUCADVNK-UHFFFAOYSA-N
MW644.82 g/mol
LogP9.86
Rot. Bonds5

About 5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole

5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole (PubChem CID 144976207) has the molecular formula C46H36N4 and a molecular weight of 644.82 g/mol. Its IUPAC name is 5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole
PubChem CID144976207
Molecular FormulaC46H36N4
Molecular Weight644.82 g/mol
Exact Mass644.29
IUPAC Name5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole
SMILESC1=CCCC(C2NC(c3ccccc3)=NC(n3c4ccccc4c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)N2)=C1
InChIInChI=1S/C46H36N4/c1-5-17-31(18-6-1)43-47-44(32-19-7-2-8-20-32)49-45(48-43)50-41-28-16-14-26-36(41)38-29-37-35-25-13-15-27-39(35)46(40(37)30-42(38)50,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-7,9-19,21-30,44-45,49H,8,20H2,(H,47,48)
InChIKeyWVQKOXJUCADVNK-UHFFFAOYSA-N
XLogP9.86
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.82
LogP ≤ 59.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole with MolForge

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Related Compounds

7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole
CID 145377266
11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 166961471
5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
CID 134447533
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996
11,11-diphenyl-5-(3-phenyl-2H-quinoxalin-1-id-2-yl)indeno[1,2-b]carbazole
CID 145085555
5-[4-(2-dibenzofuran-4-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]
CID 145014110
7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161280871
7,7-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 158074658
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 139400710
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole?
The IUPAC name of 5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole (CID 144976207) is 5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole?
The canonical SMILES for 5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole is C1=CCCC(C2NC(c3ccccc3)=NC(n3c4ccccc4c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)N2)=C1.
What is the InChIKey of 5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole?
The InChIKey is WVQKOXJUCADVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N4/c1-5-17-31(18-6-1)43-47-44(32-19-7-2-8-20-32)49-45(48-43)50-41-28-16-14-26-36(41)38-29-37-35-25-13-15-27-39(35)46(40(37)30-42(38)50,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-7,9-19,21-30,44-45,49H,8,20H2,(H,47,48).
What are the key properties of 5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole?
5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole has a molecular weight of 644.82 g/mol, XLogP of 9.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole is sourced from PubChem (CID 144976207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).