9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2-[(1S)-4-phenylcyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole

C75H48N4O2 — CID 153304474

IUPAC9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2-[(1S)-4-phenylcyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole
SMILESC1=C[C@@H](c2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc(-c3ccc(-c4ccccc4)cc3)c2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)CC=C1c1ccccc1
InChIInChI=1S/C75H48N4O2/c1-4-16-47(17-5-1)50-28-32-52(33-29-50)63-43-57(75-77-73(55-36-39-61-59-23-11-14-26-68(59)80-70(61)45-55)76-74(78-75)56-37-40-62-60-24-12-15-27-69(60)81-71(62)46-56)44-64(53-34-30-51(31-35-53)48-18-6-2-7-19-48)72(63)79-66-25-13-10-22-58(66)65-42-54(38-41-67(65)79)49-20-8-3-9-21-49/h1-34,36-46,53H,35H2/t53-/m1/s1
InChIKeyQSOHWGMTAHMGKW-IONAWPRUSA-N
MW1037.23 g/mol
LogP19.90
Rot. Bonds9

About 9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2-[(1S)-4-phenylcyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole

9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2-[(1S)-4-phenylcyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole (PubChem CID 153304474) has the molecular formula C75H48N4O2 and a molecular weight of 1037.23 g/mol. Its IUPAC name is 9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2-[(1S)-4-phenylcyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2-[(1S)-4-phenylcyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole
PubChem CID153304474
Molecular FormulaC75H48N4O2
Molecular Weight1037.23 g/mol
Exact Mass1036.38
IUPAC Name9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2-[(1S)-4-phenylcyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole
SMILESC1=C[C@@H](c2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc(-c3ccc(-c4ccccc4)cc3)c2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)CC=C1c1ccccc1
InChIInChI=1S/C75H48N4O2/c1-4-16-47(17-5-1)50-28-32-52(33-29-50)63-43-57(75-77-73(55-36-39-61-59-23-11-14-26-68(59)80-70(61)45-55)76-74(78-75)56-37-40-62-60-24-12-15-27-69(60)81-71(62)46-56)44-64(53-34-30-51(31-35-53)48-18-6-2-7-19-48)72(63)79-66-25-13-10-22-58(66)65-42-54(38-41-67(65)79)49-20-8-3-9-21-49/h1-34,36-46,53H,35H2/t53-/m1/s1
InChIKeyQSOHWGMTAHMGKW-IONAWPRUSA-N
XLogP19.90
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.23
LogP ≤ 519.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2-[(1S)-4-phenylcyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole with MolForge

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Related Compounds

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 148730654
7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole
CID 163922838
3-carbazol-9-yl-9-[2-cyclohexa-2,4-dien-1-yl-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 167403558
3-carbazol-9-yl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280367
9-[2-cyclohexa-2,4-dien-1-yl-4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]-1,3,6,8-tetraphenylcarbazole
CID 165020345
9-[2-(4-tert-butylphenyl)-6-cyclohexa-2,4-dien-1-yl-4-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole
CID 146707015
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
9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole
CID 153304402
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379
9-[2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole
CID 177277013
2-[9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazol-3-yl]benzenethiol
CID 167403642
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3-isocyano-6-phenylcarbazole
CID 153301207

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2-[(1S)-4-phenylcyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole?
The IUPAC name of 9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2-[(1S)-4-phenylcyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole (CID 153304474) is 9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2-[(1S)-4-phenylcyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole.
What is the SMILES notation for 9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2-[(1S)-4-phenylcyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole?
The canonical SMILES for 9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2-[(1S)-4-phenylcyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole is C1=C[C@@H](c2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc(-c3ccc(-c4ccccc4)cc3)c2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)CC=C1c1ccccc1.
What is the InChIKey of 9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2-[(1S)-4-phenylcyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole?
The InChIKey is QSOHWGMTAHMGKW-IONAWPRUSA-N. The full InChI is InChI=1S/C75H48N4O2/c1-4-16-47(17-5-1)50-28-32-52(33-29-50)63-43-57(75-77-73(55-36-39-61-59-23-11-14-26-68(59)80-70(61)45-55)76-74(78-75)56-37-40-62-60-24-12-15-27-69(60)81-71(62)46-56)44-64(53-34-30-51(31-35-53)48-18-6-2-7-19-48)72(63)79-66-25-13-10-22-58(66)65-42-54(38-41-67(65)79)49-20-8-3-9-21-49/h1-34,36-46,53H,35H2/t53-/m1/s1.
What are the key properties of 9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2-[(1S)-4-phenylcyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole?
9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2-[(1S)-4-phenylcyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole has a molecular weight of 1037.23 g/mol, XLogP of 19.90, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2-[(1S)-4-phenylcyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole is sourced from PubChem (CID 153304474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).