12-[7-[4-cyclohexa-1,5-dien-1-yl-2-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-4a,9b-dihydrodibenzofuran-1-yl]-6,8-dimethyl-5,6,7,8-tetrahydro-[1]benzofuro[2,3-a]carbazole

C53H50N4O2 — CID 167223029

IUPAC12-[7-[4-cyclohexa-1,5-dien-1-yl-2-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-4a,9b-dihydrodibenzofuran-1-yl]-6,8-dimethyl-5,6,7,8-tetrahydro-[1]benzofuro[2,3-a]carbazole
SMILESCC1C=Cc2oc3c(c2C1)C(C)Cc1c-3n(C2=CC=CC3Oc4cc(C5=NC(C6=CCCC=C6)NC(C6CC=C(c7ccccc7)CC6)N5)ccc4C23)c2ccccc12
InChIInChI=1S/C53H50N4O2/c1-31-20-27-44-41(28-31)47-32(2)29-40-38-16-9-10-17-42(38)57(49(40)50(47)59-44)43-18-11-19-45-48(43)39-26-25-37(30-46(39)58-45)53-55-51(35-14-7-4-8-15-35)54-52(56-53)36-23-21-34(22-24-36)33-12-5-3-6-13-33/h3,5-7,9-21,25-27,30-32,36,45,48,51-52,54H,4,8,22-24,28-29H2,1-2H3,(H,55,56)
InChIKeySAVPEHRILJGYLK-UHFFFAOYSA-N
MW775.01 g/mol
LogP11.47
Rot. Bonds5

About 12-[7-[4-cyclohexa-1,5-dien-1-yl-2-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-4a,9b-dihydrodibenzofuran-1-yl]-6,8-dimethyl-5,6,7,8-tetrahydro-[1]benzofuro[2,3-a]carbazole

12-[7-[4-cyclohexa-1,5-dien-1-yl-2-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-4a,9b-dihydrodibenzofuran-1-yl]-6,8-dimethyl-5,6,7,8-tetrahydro-[1]benzofuro[2,3-a]carbazole (PubChem CID 167223029) has the molecular formula C53H50N4O2 and a molecular weight of 775.01 g/mol. Its IUPAC name is 12-[7-[4-cyclohexa-1,5-dien-1-yl-2-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-4a,9b-dihydrodibenzofuran-1-yl]-6,8-dimethyl-5,6,7,8-tetrahydro-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[7-[4-cyclohexa-1,5-dien-1-yl-2-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-4a,9b-dihydrodibenzofuran-1-yl]-6,8-dimethyl-5,6,7,8-tetrahydro-[1]benzofuro[2,3-a]carbazole
PubChem CID167223029
Molecular FormulaC53H50N4O2
Molecular Weight775.01 g/mol
Exact Mass774.39
IUPAC Name12-[7-[4-cyclohexa-1,5-dien-1-yl-2-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-4a,9b-dihydrodibenzofuran-1-yl]-6,8-dimethyl-5,6,7,8-tetrahydro-[1]benzofuro[2,3-a]carbazole
SMILESCC1C=Cc2oc3c(c2C1)C(C)Cc1c-3n(C2=CC=CC3Oc4cc(C5=NC(C6=CCCC=C6)NC(C6CC=C(c7ccccc7)CC6)N5)ccc4C23)c2ccccc12
InChIInChI=1S/C53H50N4O2/c1-31-20-27-44-41(28-31)47-32(2)29-40-38-16-9-10-17-42(38)57(49(40)50(47)59-44)43-18-11-19-45-48(43)39-26-25-37(30-46(39)58-45)53-55-51(35-14-7-4-8-15-35)54-52(56-53)36-23-21-34(22-24-36)33-12-5-3-6-13-33/h3,5-7,9-21,25-27,30-32,36,45,48,51-52,54H,4,8,22-24,28-29H2,1-2H3,(H,55,56)
InChIKeySAVPEHRILJGYLK-UHFFFAOYSA-N
XLogP11.47
TPSA63.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.01
LogP ≤ 511.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 12-[7-[4-cyclohexa-1,5-dien-1-yl-2-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-4a,9b-dihydrodibenzofuran-1-yl]-6,8-dimethyl-5,6,7,8-tetrahydro-[1]benzofuro[2,3-a]carbazole with MolForge

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Related Compounds

10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole
CID 130180958
9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-(4-cyclohexa-2,4-dien-1-ylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]-2-phenylcarbazole
CID 170282776
5-[4-[2-(1,2,4b,8a-tetrahydrophenanthren-2-yl)-4-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-3-(9H-fluoren-9-ylmethyl)-3,4-dihydrobenzo[b]carbazole
CID 139570051
12-[3-(2-cyclohexa-1,5-dien-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-N,N-diphenyl-1,12-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6(11),7,9,15,17,19,21,23,25,27-tridecaen-8-amine;ethane
CID 144906946
5-[5-(2-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 166750479
4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole
CID 166864733
9-(4a,11b-dihydrobenzo[b]carbazol-5-yl)-5-[3-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,4-dihydrobenzo[b]carbazole
CID 139569825
5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 170282863
4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole
CID 166988314
9-[9-[6-[4-cyclohexa-1,5-dien-1-yl-6-(4-phenylcyclohex-3-en-1-yl)-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-4b,7,8,8a-tetrahydrocarbazol-2-yl]-3-phenylcarbazole
CID 170082350
1-[4-[3-methyl-5-(8-methyl-8,9-dihydrodibenzofuran-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146440270
2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170424177

Frequently Asked Questions

What is the IUPAC name of 12-[7-[4-cyclohexa-1,5-dien-1-yl-2-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-4a,9b-dihydrodibenzofuran-1-yl]-6,8-dimethyl-5,6,7,8-tetrahydro-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[7-[4-cyclohexa-1,5-dien-1-yl-2-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-4a,9b-dihydrodibenzofuran-1-yl]-6,8-dimethyl-5,6,7,8-tetrahydro-[1]benzofuro[2,3-a]carbazole (CID 167223029) is 12-[7-[4-cyclohexa-1,5-dien-1-yl-2-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-4a,9b-dihydrodibenzofuran-1-yl]-6,8-dimethyl-5,6,7,8-tetrahydro-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[7-[4-cyclohexa-1,5-dien-1-yl-2-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-4a,9b-dihydrodibenzofuran-1-yl]-6,8-dimethyl-5,6,7,8-tetrahydro-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[7-[4-cyclohexa-1,5-dien-1-yl-2-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-4a,9b-dihydrodibenzofuran-1-yl]-6,8-dimethyl-5,6,7,8-tetrahydro-[1]benzofuro[2,3-a]carbazole is CC1C=Cc2oc3c(c2C1)C(C)Cc1c-3n(C2=CC=CC3Oc4cc(C5=NC(C6=CCCC=C6)NC(C6CC=C(c7ccccc7)CC6)N5)ccc4C23)c2ccccc12.
What is the InChIKey of 12-[7-[4-cyclohexa-1,5-dien-1-yl-2-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-4a,9b-dihydrodibenzofuran-1-yl]-6,8-dimethyl-5,6,7,8-tetrahydro-[1]benzofuro[2,3-a]carbazole?
The InChIKey is SAVPEHRILJGYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H50N4O2/c1-31-20-27-44-41(28-31)47-32(2)29-40-38-16-9-10-17-42(38)57(49(40)50(47)59-44)43-18-11-19-45-48(43)39-26-25-37(30-46(39)58-45)53-55-51(35-14-7-4-8-15-35)54-52(56-53)36-23-21-34(22-24-36)33-12-5-3-6-13-33/h3,5-7,9-21,25-27,30-32,36,45,48,51-52,54H,4,8,22-24,28-29H2,1-2H3,(H,55,56).
What are the key properties of 12-[7-[4-cyclohexa-1,5-dien-1-yl-2-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-4a,9b-dihydrodibenzofuran-1-yl]-6,8-dimethyl-5,6,7,8-tetrahydro-[1]benzofuro[2,3-a]carbazole?
12-[7-[4-cyclohexa-1,5-dien-1-yl-2-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-4a,9b-dihydrodibenzofuran-1-yl]-6,8-dimethyl-5,6,7,8-tetrahydro-[1]benzofuro[2,3-a]carbazole has a molecular weight of 775.01 g/mol, XLogP of 11.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[7-[4-cyclohexa-1,5-dien-1-yl-2-(4-phenylcyclohex-3-en-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-4a,9b-dihydrodibenzofuran-1-yl]-6,8-dimethyl-5,6,7,8-tetrahydro-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 167223029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).