9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-3,6-dimethylcarbazole

C53H44N4 — CID 152877364

IUPAC9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2C1=C(c2ccccc2)C=C(C2=NC(c3ccccc3)N=C(C3=CCC(c4ccccc4)C=C3)N2)CC1c1ccccc1
InChIInChI=1S/C53H44N4/c1-35-23-29-48-46(31-35)47-32-36(2)24-30-49(47)57(48)50-44(39-17-9-4-10-18-39)33-43(34-45(50)40-19-11-5-12-20-40)53-55-51(41-21-13-6-14-22-41)54-52(56-53)42-27-25-38(26-28-42)37-15-7-3-8-16-37/h3-25,27-33,38,45,51H,26,34H2,1-2H3,(H,54,55,56)
InChIKeyUARQEDAETCCWBJ-UHFFFAOYSA-N
MW736.96 g/mol
LogP12.66
Rot. Bonds7

About 9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-3,6-dimethylcarbazole

9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-3,6-dimethylcarbazole (PubChem CID 152877364) has the molecular formula C53H44N4 and a molecular weight of 736.96 g/mol. Its IUPAC name is 9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-3,6-dimethylcarbazole
PubChem CID152877364
Molecular FormulaC53H44N4
Molecular Weight736.96 g/mol
Exact Mass736.36
IUPAC Name9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2C1=C(c2ccccc2)C=C(C2=NC(c3ccccc3)N=C(C3=CCC(c4ccccc4)C=C3)N2)CC1c1ccccc1
InChIInChI=1S/C53H44N4/c1-35-23-29-48-46(31-35)47-32-36(2)24-30-49(47)57(48)50-44(39-17-9-4-10-18-39)33-43(34-45(50)40-19-11-5-12-20-40)53-55-51(41-21-13-6-14-22-41)54-52(56-53)42-27-25-38(26-28-42)37-15-7-3-8-16-37/h3-25,27-33,38,45,51H,26,34H2,1-2H3,(H,54,55,56)
InChIKeyUARQEDAETCCWBJ-UHFFFAOYSA-N
XLogP12.66
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.96
LogP ≤ 512.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-3,6-dimethylcarbazole with MolForge

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Related Compounds

25-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-4,11-dioxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene
CID 145442084
7-[4-[2-[(1S)-cyclohexa-2,4-dien-1-yl]-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzothiolo[2,3-b]carbazole
CID 153304428
N,N,9-triphenyl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-2-amine
CID 130241442
9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole
CID 129022406
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)phenyl]-6-phenylcarbazole
CID 167403511
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-a]carbazole
CID 153304572
9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole
CID 167072509
2-cyclohexa-1,5-dien-1-yl-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazine
CID 130184267
11-[7-[2-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]dibenzothiophen-4-yl]-5-phenylbenzo[a]carbazole
CID 170117464
2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-[3-[3-[3-[5-(6-cyclohexa-1,5-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)cyclohexa-1,3-dien-1-yl]phenyl]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]-4-phenyl-1,4-dihydro-1,3,5-triazine
CID 163523181
4-(4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 134194276
N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine
CID 163564194

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-3,6-dimethylcarbazole (CID 152877364) is 9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2C1=C(c2ccccc2)C=C(C2=NC(c3ccccc3)N=C(C3=CCC(c4ccccc4)C=C3)N2)CC1c1ccccc1.
What is the InChIKey of 9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-3,6-dimethylcarbazole?
The InChIKey is UARQEDAETCCWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44N4/c1-35-23-29-48-46(31-35)47-32-36(2)24-30-49(47)57(48)50-44(39-17-9-4-10-18-39)33-43(34-45(50)40-19-11-5-12-20-40)53-55-51(41-21-13-6-14-22-41)54-52(56-53)42-27-25-38(26-28-42)37-15-7-3-8-16-37/h3-25,27-33,38,45,51H,26,34H2,1-2H3,(H,54,55,56).
What are the key properties of 9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-3,6-dimethylcarbazole?
9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-3,6-dimethylcarbazole has a molecular weight of 736.96 g/mol, XLogP of 12.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-3,6-dimethylcarbazole is sourced from PubChem (CID 152877364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).