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

C63H41N5O — CID 167403558

IUPAC3-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
SMILESC1=CCC(c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)C=C1
InChIInChI=1S/C63H41N5O/c1-4-18-40(19-5-1)51-36-44(63-65-61(42-22-8-3-9-23-42)64-62(66-63)43-32-34-50-49-27-13-17-31-58(49)69-59(50)38-43)37-52(41-20-6-2-7-21-41)60(51)68-56-30-16-12-26-48(56)53-39-45(33-35-57(53)68)67-54-28-14-10-24-46(54)47-25-11-15-29-55(47)67/h1-20,22-39,41H,21H2
InChIKeyQDWVROLUOUSXFI-UHFFFAOYSA-N
MW884.06 g/mol
LogP16.23
Rot. Bonds7

About 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

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 (PubChem CID 167403558) has the molecular formula C63H41N5O and a molecular weight of 884.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID167403558
Molecular FormulaC63H41N5O
Molecular Weight884.06 g/mol
Exact Mass883.33
IUPAC Name3-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
SMILESC1=CCC(c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)C=C1
InChIInChI=1S/C63H41N5O/c1-4-18-40(19-5-1)51-36-44(63-65-61(42-22-8-3-9-23-42)64-62(66-63)43-32-34-50-49-27-13-17-31-58(49)69-59(50)38-43)37-52(41-20-6-2-7-21-41)60(51)68-56-30-16-12-26-48(56)53-39-45(33-35-57(53)68)67-54-28-14-10-24-46(54)47-25-11-15-29-55(47)67/h1-20,22-39,41H,21H2
InChIKeyQDWVROLUOUSXFI-UHFFFAOYSA-N
XLogP16.23
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.06
LogP ≤ 516.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-(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
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
9-[2-carbazol-9-yl-5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b][1]benziodol-8-yl]carbazole
CID 158637725
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole
CID 167401664
5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 171771502
3-carbazol-9-yl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole;12-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[2,3-a]carbazole
CID 161400151
2-carbazol-9-yl-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
CID 170097738
12-[2-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole
CID 153304403
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747351
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CCC(c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)C=C1.
What is the InChIKey of 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?
The InChIKey is QDWVROLUOUSXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5O/c1-4-18-40(19-5-1)51-36-44(63-65-61(42-22-8-3-9-23-42)64-62(66-63)43-32-34-50-49-27-13-17-31-58(49)69-59(50)38-43)37-52(41-20-6-2-7-21-41)60(51)68-56-30-16-12-26-48(56)53-39-45(33-35-57(53)68)67-54-28-14-10-24-46(54)47-25-11-15-29-55(47)67/h1-20,22-39,41H,21H2.
What are the key properties of 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?
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 has a molecular weight of 884.06 g/mol, XLogP of 16.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167403558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).