5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole

C39H32N4O — CID 155238394

IUPAC5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CCC(C2=NC(c3ccccc3)NC(c3ccc(N4c5ccc6c(oc7ccccc76)c5C5C=CC=CC54)cc3)N2)C=C1
InChIInChI=1S/C39H32N4O/c1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)27-19-21-28(22-20-27)43-32-17-9-7-16-31(32)35-33(43)24-23-30-29-15-8-10-18-34(29)44-36(30)35/h1-13,15-24,26,31-32,37,39,41H,14H2,(H,40,42)
InChIKeyABHGYSAFRJPFQN-UHFFFAOYSA-N
MW572.71 g/mol
LogP8.74
Rot. Bonds4

About 5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole

5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole (PubChem CID 155238394) has the molecular formula C39H32N4O and a molecular weight of 572.71 g/mol. Its IUPAC name is 5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole
PubChem CID155238394
Molecular FormulaC39H32N4O
Molecular Weight572.71 g/mol
Exact Mass572.26
IUPAC Name5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CCC(C2=NC(c3ccccc3)NC(c3ccc(N4c5ccc6c(oc7ccccc76)c5C5C=CC=CC54)cc3)N2)C=C1
InChIInChI=1S/C39H32N4O/c1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)27-19-21-28(22-20-27)43-32-17-9-7-16-31(32)35-33(43)24-23-30-29-15-8-10-18-34(29)44-36(30)35/h1-13,15-24,26,31-32,37,39,41H,14H2,(H,40,42)
InChIKeyABHGYSAFRJPFQN-UHFFFAOYSA-N
XLogP8.74
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 58.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole
CID 145067647
6-cyclohexa-2,4-dien-1-yl-2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-4-yl)-4-(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163688757
9-[9-[6-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]dibenzothiophen-3-yl]carbazole
CID 166962305
3-[2-[4-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-4-phenyl-1,2,3,4-tetrahydropyrimidin-6-yl]benzonitrile
CID 145067665
6-[3-(6-cyclohexa-2,4-dien-1-yl-1-methyl-4-phenyl-1,3,5-triazinan-2-yl)-5-dibenzofuran-3-yl-2-methylcyclohexa-1,3-dien-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 139442416
15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),3(11),5,7,12,17,19(27),20,22,24-decaen-10-amine
CID 146428729
9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole
CID 174270418
5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 139342404
6-dibenzofuran-2-yl-24-(1-iodoniacyclohepta-3,5-dien-2-yl)-15-oxa-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),19,21,26-undecaene
CID 144604409
24-(6,7-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)-15-oxa-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),19,21,26-undecaene
CID 163597803
24-[6-(4,6-diphenyl-1,3,5-triazinan-2-yl)naphthalen-2-yl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126679083
12-[2-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-1-ium-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 144943023

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole (CID 155238394) is 5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole is C1=CCC(C2=NC(c3ccccc3)NC(c3ccc(N4c5ccc6c(oc7ccccc76)c5C5C=CC=CC54)cc3)N2)C=C1.
What is the InChIKey of 5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole?
The InChIKey is ABHGYSAFRJPFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N4O/c1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)27-19-21-28(22-20-27)43-32-17-9-7-16-31(32)35-33(43)24-23-30-29-15-8-10-18-34(29)44-36(30)35/h1-13,15-24,26,31-32,37,39,41H,14H2,(H,40,42).
What are the key properties of 5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole?
5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole has a molecular weight of 572.71 g/mol, XLogP of 8.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 155238394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).