11-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-[(3R)-3-cyclohexa-2,4-dien-1-yl-5-phenylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-b]carbazole

C63H50N4O — CID 153304450

IUPAC11-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-[(3R)-3-cyclohexa-2,4-dien-1-yl-5-phenylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-b]carbazole
SMILESC1=CCC(C2CC(c3nc(C4=C[C@@H](C5C=CC=CC5)CC(c5ccccc5)=C4)nc(-c4ccccc4)n3)=CC(C3=CCCC=C3)=C2n2c3ccccc3c3cc4oc5ccccc5c4cc32)C=C1
InChIInChI=1S/C63H50N4O/c1-6-20-41(21-7-1)46-34-47(42-22-8-2-9-23-42)36-48(35-46)62-64-61(45-28-14-5-15-29-45)65-63(66-62)49-37-52(43-24-10-3-11-25-43)60(53(38-49)44-26-12-4-13-27-44)67-56-32-18-16-30-50(56)54-40-59-55(39-57(54)67)51-31-17-19-33-58(51)68-59/h1-3,5-12,14-22,24,26-33,35-36,38-40,42-43,47,52H,4,13,23,25,34,37H2/t42?,43?,47-,52?/m0/s1
InChIKeyFMWNVOJATMYHII-YORHVFGRSA-N
MW879.12 g/mol
LogP15.89
Rot. Bonds8

About 11-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-[(3R)-3-cyclohexa-2,4-dien-1-yl-5-phenylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-b]carbazole

11-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-[(3R)-3-cyclohexa-2,4-dien-1-yl-5-phenylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 153304450) has the molecular formula C63H50N4O and a molecular weight of 879.12 g/mol. Its IUPAC name is 11-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-[(3R)-3-cyclohexa-2,4-dien-1-yl-5-phenylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-[(3R)-3-cyclohexa-2,4-dien-1-yl-5-phenylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-b]carbazole
PubChem CID153304450
Molecular FormulaC63H50N4O
Molecular Weight879.12 g/mol
Exact Mass878.40
IUPAC Name11-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-[(3R)-3-cyclohexa-2,4-dien-1-yl-5-phenylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-b]carbazole
SMILESC1=CCC(C2CC(c3nc(C4=C[C@@H](C5C=CC=CC5)CC(c5ccccc5)=C4)nc(-c4ccccc4)n3)=CC(C3=CCCC=C3)=C2n2c3ccccc3c3cc4oc5ccccc5c4cc32)C=C1
InChIInChI=1S/C63H50N4O/c1-6-20-41(21-7-1)46-34-47(42-22-8-2-9-23-42)36-48(35-46)62-64-61(45-28-14-5-15-29-45)65-63(66-62)49-37-52(43-24-10-3-11-25-43)60(53(38-49)44-26-12-4-13-27-44)67-56-32-18-16-30-50(56)54-40-59-55(39-57(54)67)51-31-17-19-33-58(51)68-59/h1-3,5-12,14-22,24,26-33,35-36,38-40,42-43,47,52H,4,13,23,25,34,37H2/t42?,43?,47-,52?/m0/s1
InChIKeyFMWNVOJATMYHII-YORHVFGRSA-N
XLogP15.89
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.12
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-[(3R)-3-cyclohexa-2,4-dien-1-yl-5-phenylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-b]carbazole with MolForge

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Related Compounds

11-[4-[4-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[3,2-b]carbazole
CID 155179800
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-25-phenyl-5-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 140957247
3-[6-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 155401241
9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 163688417
11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 118154464
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
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole
CID 174355929
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
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163842571
9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole
CID 163775601
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzofuro[3,2-b]carbazole
CID 163515985
2-cyclohexa-1,5-dien-1-yl-4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 168740292

Frequently Asked Questions

What is the IUPAC name of 11-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-[(3R)-3-cyclohexa-2,4-dien-1-yl-5-phenylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-[(3R)-3-cyclohexa-2,4-dien-1-yl-5-phenylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-b]carbazole (CID 153304450) is 11-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-[(3R)-3-cyclohexa-2,4-dien-1-yl-5-phenylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-[(3R)-3-cyclohexa-2,4-dien-1-yl-5-phenylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-[(3R)-3-cyclohexa-2,4-dien-1-yl-5-phenylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-b]carbazole is C1=CCC(C2CC(c3nc(C4=C[C@@H](C5C=CC=CC5)CC(c5ccccc5)=C4)nc(-c4ccccc4)n3)=CC(C3=CCCC=C3)=C2n2c3ccccc3c3cc4oc5ccccc5c4cc32)C=C1.
What is the InChIKey of 11-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-[(3R)-3-cyclohexa-2,4-dien-1-yl-5-phenylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is FMWNVOJATMYHII-YORHVFGRSA-N. The full InChI is InChI=1S/C63H50N4O/c1-6-20-41(21-7-1)46-34-47(42-22-8-2-9-23-42)36-48(35-46)62-64-61(45-28-14-5-15-29-45)65-63(66-62)49-37-52(43-24-10-3-11-25-43)60(53(38-49)44-26-12-4-13-27-44)67-56-32-18-16-30-50(56)54-40-59-55(39-57(54)67)51-31-17-19-33-58(51)68-59/h1-3,5-12,14-22,24,26-33,35-36,38-40,42-43,47,52H,4,13,23,25,34,37H2/t42?,43?,47-,52?/m0/s1.
What are the key properties of 11-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-[(3R)-3-cyclohexa-2,4-dien-1-yl-5-phenylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-b]carbazole?
11-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-[(3R)-3-cyclohexa-2,4-dien-1-yl-5-phenylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 879.12 g/mol, XLogP of 15.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-[(3R)-3-cyclohexa-2,4-dien-1-yl-5-phenylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 153304450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).