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

C63H46N4O — CID 153304403

IUPAC12-[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
SMILESC1=CCCC(c2cc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6ccc7oc8ccccc8c7c65)c(C5C=CC=CC5)c4)n3)cc(C3C=CC=CC3)c2)=C1
InChIInChI=1S/C63H46N4O/c1-6-20-41(21-7-1)46-36-47(42-22-8-2-9-23-42)38-48(37-46)62-64-61(45-28-14-5-15-29-45)65-63(66-62)49-39-53(43-24-10-3-11-25-43)59(54(40-49)44-26-12-4-13-27-44)67-55-32-18-16-30-50(55)51-34-35-57-58(60(51)67)52-31-17-19-33-56(52)68-57/h1-8,10-20,22,24-26,28-41,44H,9,21,23,27H2
InChIKeyORAYKCKDCRQTBH-UHFFFAOYSA-N
MW875.09 g/mol
LogP16.47
Rot. Bonds8

About 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

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 (PubChem CID 153304403) has the molecular formula C63H46N4O and a molecular weight of 875.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-[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
PubChem CID153304403
Molecular FormulaC63H46N4O
Molecular Weight875.09 g/mol
Exact Mass874.37
IUPAC Name12-[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
SMILESC1=CCCC(c2cc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6ccc7oc8ccccc8c7c65)c(C5C=CC=CC5)c4)n3)cc(C3C=CC=CC3)c2)=C1
InChIInChI=1S/C63H46N4O/c1-6-20-41(21-7-1)46-36-47(42-22-8-2-9-23-42)38-48(37-46)62-64-61(45-28-14-5-15-29-45)65-63(66-62)49-39-53(43-24-10-3-11-25-43)59(54(40-49)44-26-12-4-13-27-44)67-55-32-18-16-30-50(55)51-34-35-57-58(60(51)67)52-31-17-19-33-56(52)68-57/h1-8,10-20,22,24-26,28-41,44H,9,21,23,27H2
InChIKeyORAYKCKDCRQTBH-UHFFFAOYSA-N
XLogP16.47
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.09
LogP ≤ 516.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 153304570
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole
CID 146280449
5-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole
CID 155179799
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
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-[4-[4-cyclohexa-2,4-dien-1-yl-6-[3-cyclohexa-1,3-dien-1-yl-5-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167072477
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
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole
CID 146976667
2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-3-yl)-4-(3-cyclohexa-1,3-dien-1-ylphenyl)-6-dibenzothiophen-3-yl-1,3,5-triazine
CID 142615272
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 176837422

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CCCC(c2cc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6ccc7oc8ccccc8c7c65)c(C5C=CC=CC5)c4)n3)cc(C3C=CC=CC3)c2)=C1.
What is the InChIKey of 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?
The InChIKey is ORAYKCKDCRQTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N4O/c1-6-20-41(21-7-1)46-36-47(42-22-8-2-9-23-42)38-48(37-46)62-64-61(45-28-14-5-15-29-45)65-63(66-62)49-39-53(43-24-10-3-11-25-43)59(54(40-49)44-26-12-4-13-27-44)67-55-32-18-16-30-50(55)51-34-35-57-58(60(51)67)52-31-17-19-33-56(52)68-57/h1-8,10-20,22,24-26,28-41,44H,9,21,23,27H2.
What are the key properties of 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?
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 has a molecular weight of 875.09 g/mol, XLogP of 16.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153304403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).