11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole

C53H30N4O2 — CID 167032824

IUPAC11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole
SMILESc1ccc2cc(-c3nc(-c4ccc5c(c4)oc4c(-n6c7ccccc7c7ccc8ccccc8c76)cccc45)nc(-c4cccc5c4oc4ccccc45)n3)ccc2c1
InChIInChI=1S/C53H30N4O2/c1-2-13-33-29-34(24-23-31(33)11-1)51-54-52(56-53(55-51)43-19-9-17-41-38-16-6-8-22-46(38)58-49(41)43)35-26-27-39-42-18-10-21-45(50(42)59-47(39)30-35)57-44-20-7-5-15-37(44)40-28-25-32-12-3-4-14-36(32)48(40)57/h1-30H
InChIKeyKOJOLNNTUIRMMR-UHFFFAOYSA-N
MW754.85 g/mol
LogP14.07
Rot. Bonds4

About 11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole

11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole (PubChem CID 167032824) has the molecular formula C53H30N4O2 and a molecular weight of 754.85 g/mol. Its IUPAC name is 11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole.

Molecular Properties

Compound Name11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole
PubChem CID167032824
Molecular FormulaC53H30N4O2
Molecular Weight754.85 g/mol
Exact Mass754.24
IUPAC Name11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole
SMILESc1ccc2cc(-c3nc(-c4ccc5c(c4)oc4c(-n6c7ccccc7c7ccc8ccccc8c76)cccc45)nc(-c4cccc5c4oc4ccccc45)n3)ccc2c1
InChIInChI=1S/C53H30N4O2/c1-2-13-33-29-34(24-23-31(33)11-1)51-54-52(56-53(55-51)43-19-9-17-41-38-16-6-8-22-46(38)58-49(41)43)35-26-27-39-42-18-10-21-45(50(42)59-47(39)30-35)57-44-20-7-5-15-37(44)40-28-25-32-12-3-4-14-36(32)48(40)57/h1-30H
InChIKeyKOJOLNNTUIRMMR-UHFFFAOYSA-N
XLogP14.07
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.85
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 146335958
12-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 146491129
9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 166952688
1-[6-(4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342497
2-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342492
3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole
CID 170080874
1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole
CID 170534647
11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole
CID 164847979
9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534619
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146335703
12-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155450699
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149219825

Frequently Asked Questions

What is the IUPAC name of 11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole?
The IUPAC name of 11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole (CID 167032824) is 11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole.
What is the SMILES notation for 11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole?
The canonical SMILES for 11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole is c1ccc2cc(-c3nc(-c4ccc5c(c4)oc4c(-n6c7ccccc7c7ccc8ccccc8c76)cccc45)nc(-c4cccc5c4oc4ccccc45)n3)ccc2c1.
What is the InChIKey of 11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole?
The InChIKey is KOJOLNNTUIRMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N4O2/c1-2-13-33-29-34(24-23-31(33)11-1)51-54-52(56-53(55-51)43-19-9-17-41-38-16-6-8-22-46(38)58-49(41)43)35-26-27-39-42-18-10-21-45(50(42)59-47(39)30-35)57-44-20-7-5-15-37(44)40-28-25-32-12-3-4-14-36(32)48(40)57/h1-30H.
What are the key properties of 11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole?
11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole has a molecular weight of 754.85 g/mol, XLogP of 14.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole is sourced from PubChem (CID 167032824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).