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

C39H26N4O — CID 126656547

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole
SMILESC1=Cc2c(n(-c3ccccc3)c3c2c(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)cc2c4ccccc4oc23)CC1
InChIInChI=1S/C39H26N4O/c1-4-14-25(15-5-1)37-40-38(26-16-6-2-7-17-26)42-39(41-37)31-24-30-28-20-11-13-23-33(28)44-36(30)35-34(31)29-21-10-12-22-32(29)43(35)27-18-8-3-9-19-27/h1-11,13-21,23-24H,12,22H2
InChIKeyBCUKHHGTDNCSAE-UHFFFAOYSA-N
MW566.66 g/mol
LogP9.68
Rot. Bonds4

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

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole (PubChem CID 126656547) has the molecular formula C39H26N4O and a molecular weight of 566.66 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole
PubChem CID126656547
Molecular FormulaC39H26N4O
Molecular Weight566.66 g/mol
Exact Mass566.21
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole
SMILESC1=Cc2c(n(-c3ccccc3)c3c2c(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)cc2c4ccccc4oc23)CC1
InChIInChI=1S/C39H26N4O/c1-4-14-25(15-5-1)37-40-38(26-16-6-2-7-17-26)42-39(41-37)31-24-30-28-20-11-13-23-33(28)44-36(30)35-34(31)29-21-10-12-22-32(29)43(35)27-18-8-3-9-19-27/h1-11,13-21,23-24H,12,22H2
InChIKeyBCUKHHGTDNCSAE-UHFFFAOYSA-N
XLogP9.68
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.66
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole
CID 126656553
7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole
CID 170144355
5-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 134252535
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole
CID 156574749
6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole
CID 163554857
18-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 154993661
5-[4-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146407362
6,20-diphenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,22-decaene
CID 145032212
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
2-[4-(5,6-dihydrotriphenylen-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167007325
7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163626734

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole (CID 126656547) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole is C1=Cc2c(n(-c3ccccc3)c3c2c(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)cc2c4ccccc4oc23)CC1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole?
The InChIKey is BCUKHHGTDNCSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4O/c1-4-14-25(15-5-1)37-40-38(26-16-6-2-7-17-26)42-39(41-37)31-24-30-28-20-11-13-23-33(28)44-36(30)35-34(31)29-21-10-12-22-32(29)43(35)27-18-8-3-9-19-27/h1-11,13-21,23-24H,12,22H2.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole has a molecular weight of 566.66 g/mol, XLogP of 9.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 126656547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).