9-[(6R)-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-3,6-diphenylcarbazole

C75H50N4O — CID 147713057

IUPAC9-[(6R)-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-3,6-diphenylcarbazole
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)C[C@H](c2ccc(-c3ccccc3)cc2)C(n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)=C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C75H50N4O/c1-6-18-49(19-7-1)53-30-34-55(35-31-53)64-46-61(75-77-73(57-26-14-5-15-27-57)76-74(78-75)60-38-41-63-62-28-16-17-29-70(62)80-71(63)48-60)47-65(56-36-32-54(33-37-56)50-20-8-2-9-21-50)72(64)79-68-42-39-58(51-22-10-3-11-23-51)44-66(68)67-45-59(40-43-69(67)79)52-24-12-4-13-25-52/h1-46,48,65H,47H2/t65-/m1/s1
InChIKeyGVBYUEHIWOMKKJ-IDKUVDLHSA-N
MW1023.25 g/mol
LogP19.52
Rot. Bonds10

About 9-[(6R)-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-3,6-diphenylcarbazole

9-[(6R)-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-3,6-diphenylcarbazole (PubChem CID 147713057) has the molecular formula C75H50N4O and a molecular weight of 1023.25 g/mol. Its IUPAC name is 9-[(6R)-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[(6R)-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-3,6-diphenylcarbazole
PubChem CID147713057
Molecular FormulaC75H50N4O
Molecular Weight1023.25 g/mol
Exact Mass1022.40
IUPAC Name9-[(6R)-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-3,6-diphenylcarbazole
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)C[C@H](c2ccc(-c3ccccc3)cc2)C(n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)=C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C75H50N4O/c1-6-18-49(19-7-1)53-30-34-55(35-31-53)64-46-61(75-77-73(57-26-14-5-15-27-57)76-74(78-75)60-38-41-63-62-28-16-17-29-70(62)80-71(63)48-60)47-65(56-36-32-54(33-37-56)50-20-8-2-9-21-50)72(64)79-68-42-39-58(51-22-10-3-11-23-51)44-66(68)67-45-59(40-43-69(67)79)52-24-12-4-13-25-52/h1-46,48,65H,47H2/t65-/m1/s1
InChIKeyGVBYUEHIWOMKKJ-IDKUVDLHSA-N
XLogP19.52
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.25
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[(6R)-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-3,6-diphenylcarbazole with MolForge

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Related Compounds

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
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379
3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 164998334
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 166009395
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 158642418
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
3,9-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 166009426
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257

Frequently Asked Questions

What is the IUPAC name of 9-[(6R)-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[(6R)-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-3,6-diphenylcarbazole (CID 147713057) is 9-[(6R)-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[(6R)-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[(6R)-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-3,6-diphenylcarbazole is C1=C(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)C[C@H](c2ccc(-c3ccccc3)cc2)C(n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)=C1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 9-[(6R)-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-3,6-diphenylcarbazole?
The InChIKey is GVBYUEHIWOMKKJ-IDKUVDLHSA-N. The full InChI is InChI=1S/C75H50N4O/c1-6-18-49(19-7-1)53-30-34-55(35-31-53)64-46-61(75-77-73(57-26-14-5-15-27-57)76-74(78-75)60-38-41-63-62-28-16-17-29-70(62)80-71(63)48-60)47-65(56-36-32-54(33-37-56)50-20-8-2-9-21-50)72(64)79-68-42-39-58(51-22-10-3-11-23-51)44-66(68)67-45-59(40-43-69(67)79)52-24-12-4-13-25-52/h1-46,48,65H,47H2/t65-/m1/s1.
What are the key properties of 9-[(6R)-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-3,6-diphenylcarbazole?
9-[(6R)-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-3,6-diphenylcarbazole has a molecular weight of 1023.25 g/mol, XLogP of 19.52, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(6R)-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-3,6-diphenylcarbazole is sourced from PubChem (CID 147713057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).