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

C45H26N4O2 — CID 170534619

IUPAC9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc2c(c1)oc1cc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4cccc5c4oc4ccccc45)n3)ccc12
InChIInChI=1S/C45H26N4O2/c1-5-16-37-30(10-1)31-11-2-6-17-38(31)49(37)29-23-20-27(21-24-29)43-46-44(28-22-25-34-32-12-3-7-18-39(32)50-41(34)26-28)48-45(47-43)36-15-9-14-35-33-13-4-8-19-40(33)51-42(35)36/h1-26H
InChIKeyZTQCPWGQEDKGBO-UHFFFAOYSA-N
MW654.73 g/mol
LogP11.77
Rot. Bonds4

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

9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 170534619) has the molecular formula C45H26N4O2 and a molecular weight of 654.73 g/mol. Its IUPAC name is 9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID170534619
Molecular FormulaC45H26N4O2
Molecular Weight654.73 g/mol
Exact Mass654.21
IUPAC Name9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc2c(c1)oc1cc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4cccc5c4oc4ccccc45)n3)ccc12
InChIInChI=1S/C45H26N4O2/c1-5-16-37-30(10-1)31-11-2-6-17-38(31)49(37)29-23-20-27(21-24-29)43-46-44(28-22-25-34-32-12-3-7-18-39(32)50-41(34)26-28)48-45(47-43)36-15-9-14-35-33-13-4-8-19-40(33)51-42(35)36/h1-26H
InChIKeyZTQCPWGQEDKGBO-UHFFFAOYSA-N
XLogP11.77
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.73
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534453
3-[7-[4-[8-[4-[4-dibenzofuran-3-yl-6-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 170140037
5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 162362950
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-(4-phenylphenyl)carbazole
CID 154601855
2-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342492
9-phenyl-2-[6-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 155477559
3-[7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342628
9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534356
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole
CID 170369945
2-[4-[4-dibenzofuran-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 165160169
9-[4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166875116

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 170534619) is 9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc2c(c1)oc1cc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4cccc5c4oc4ccccc45)n3)ccc12.
What is the InChIKey of 9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is ZTQCPWGQEDKGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4O2/c1-5-16-37-30(10-1)31-11-2-6-17-38(31)49(37)29-23-20-27(21-24-29)43-46-44(28-22-25-34-32-12-3-7-18-39(32)50-41(34)26-28)48-45(47-43)36-15-9-14-35-33-13-4-8-19-40(33)51-42(35)36/h1-26H.
What are the key properties of 9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 654.73 g/mol, XLogP of 11.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 170534619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).