9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

C34H22N4O — CID 165051640

IUPAC9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESCc1ccc2c(c1)oc1cc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)n3)ccc12
InChIInChI=1S/C34H22N4O/c1-21-15-17-26-27-18-16-23(20-31(27)39-30(26)19-21)33-35-32(22-9-3-2-4-10-22)36-34(37-33)38-28-13-7-5-11-24(28)25-12-6-8-14-29(25)38/h2-20H,1H3
InChIKeyZBZVUDPJUBBVJE-UHFFFAOYSA-N
MW502.58 g/mol
LogP8.51
Rot. Bonds3

About 9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 165051640) has the molecular formula C34H22N4O and a molecular weight of 502.58 g/mol. Its IUPAC name is 9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
PubChem CID165051640
Molecular FormulaC34H22N4O
Molecular Weight502.58 g/mol
Exact Mass502.18
IUPAC Name9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESCc1ccc2c(c1)oc1cc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)n3)ccc12
InChIInChI=1S/C34H22N4O/c1-21-15-17-26-27-18-16-23(20-31(27)39-30(26)19-21)33-35-32(22-9-3-2-4-10-22)36-34(37-33)38-28-13-7-5-11-24(28)25-12-6-8-14-29(25)38/h2-20H,1H3
InChIKeyZBZVUDPJUBBVJE-UHFFFAOYSA-N
XLogP8.51
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-[1]benzofuro[2,3-b]carbazole
CID 66829163
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257
9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole
CID 167309669
2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzofuran-2-yl-7-methylcarbazole
CID 176750740
9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164821915
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 146641949
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335707
9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 166916763
9-[4-(7-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358254
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747351
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166917707

Frequently Asked Questions

What is the IUPAC name of 9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 165051640) is 9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is Cc1ccc2c(c1)oc1cc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)n3)ccc12.
What is the InChIKey of 9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is ZBZVUDPJUBBVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4O/c1-21-15-17-26-27-18-16-23(20-31(27)39-30(26)19-21)33-35-32(22-9-3-2-4-10-22)36-34(37-33)38-28-13-7-5-11-24(28)25-12-6-8-14-29(25)38/h2-20H,1H3.
What are the key properties of 9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 502.58 g/mol, XLogP of 8.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 165051640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).