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

C46H32N4O — CID 146395981

IUPAC9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
SMILESCC1C=C(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)oc4cccc(-n6c7ccccc7c7ccccc76)c45)cc3)n2)C=CC1
InChIInChI=1S/C46H32N4O/c1-29-11-9-14-34(27-29)46-48-44(31-12-3-2-4-13-31)47-45(49-46)32-23-21-30(22-24-32)33-25-26-37-42(28-33)51-41-20-10-19-40(43(37)41)50-38-17-7-5-15-35(38)36-16-6-8-18-39(36)50/h2-10,12-29H,11H2,1H3
InChIKeyCGNCXUVJPFTSJL-UHFFFAOYSA-N
MW656.79 g/mol
LogP11.85
Rot. Bonds5

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

9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole (PubChem CID 146395981) has the molecular formula C46H32N4O and a molecular weight of 656.79 g/mol. Its IUPAC name is 9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole.

Molecular Properties

Compound Name9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
PubChem CID146395981
Molecular FormulaC46H32N4O
Molecular Weight656.79 g/mol
Exact Mass656.26
IUPAC Name9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
SMILESCC1C=C(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)oc4cccc(-n6c7ccccc7c7ccccc76)c45)cc3)n2)C=CC1
InChIInChI=1S/C46H32N4O/c1-29-11-9-14-34(27-29)46-48-44(31-12-3-2-4-13-31)47-45(49-46)32-23-21-30(22-24-32)33-25-26-37-42(28-33)51-41-20-10-19-40(43(37)41)50-38-17-7-5-15-35(38)36-16-6-8-18-39(36)50/h2-10,12-29H,11H2,1H3
InChIKeyCGNCXUVJPFTSJL-UHFFFAOYSA-N
XLogP11.85
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.79
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(7-phenyldibenzofuran-1-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080580
2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 170080487
9-dibenzofuran-1-yl-6-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087247
9-[3-phenyl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 166495709
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-1-yl]carbazole
CID 169011472
CID 174045542
CID 174045542
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole
CID 169011119
9-dibenzofuran-1-yl-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 139568398
9-[7-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]carbazole
CID 170370315
9-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl]carbazole
CID 146258992
3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 168850152
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 169010518

Frequently Asked Questions

What is the IUPAC name of 9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole?
The IUPAC name of 9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole (CID 146395981) is 9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole.
What is the SMILES notation for 9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole?
The canonical SMILES for 9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole is CC1C=C(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)oc4cccc(-n6c7ccccc7c7ccccc76)c45)cc3)n2)C=CC1.
What is the InChIKey of 9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole?
The InChIKey is CGNCXUVJPFTSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4O/c1-29-11-9-14-34(27-29)46-48-44(31-12-3-2-4-13-31)47-45(49-46)32-23-21-30(22-24-32)33-25-26-37-42(28-33)51-41-20-10-19-40(43(37)41)50-38-17-7-5-15-35(38)36-16-6-8-18-39(36)50/h2-10,12-29H,11H2,1H3.
What are the key properties of 9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole?
9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole has a molecular weight of 656.79 g/mol, XLogP of 11.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 146395981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).