9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole

C69H41N5O2 — CID 139342719

IUPAC9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc5c4c3)nc(-c3ccc4oc5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc5c4c3)n2)cc1
InChIInChI=1S/C69H41N5O2/c1-4-18-42(19-5-1)67-70-68(43-36-38-61-55(40-43)51-30-14-28-49(65(51)75-61)47-26-16-34-59-63(47)53-24-10-12-32-57(53)73(59)45-20-6-2-7-21-45)72-69(71-67)44-37-39-62-56(41-44)52-31-15-29-50(66(52)76-62)48-27-17-35-60-64(48)54-25-11-13-33-58(54)74(60)46-22-8-3-9-23-46/h1-41H
InChIKeyIZTOTNRVKYDQOI-UHFFFAOYSA-N
MW972.12 g/mol
LogP18.20
Rot. Bonds7

About 9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole

9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole (PubChem CID 139342719) has the molecular formula C69H41N5O2 and a molecular weight of 972.12 g/mol. Its IUPAC name is 9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
PubChem CID139342719
Molecular FormulaC69H41N5O2
Molecular Weight972.12 g/mol
Exact Mass971.33
IUPAC Name9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc5c4c3)nc(-c3ccc4oc5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc5c4c3)n2)cc1
InChIInChI=1S/C69H41N5O2/c1-4-18-42(19-5-1)67-70-68(43-36-38-61-55(40-43)51-30-14-28-49(65(51)75-61)47-26-16-34-59-63(47)53-24-10-12-32-57(53)73(59)45-20-6-2-7-21-45)72-69(71-67)44-37-39-62-56(41-44)52-31-15-29-50(66(52)76-62)48-27-17-35-60-64(48)54-25-11-13-33-58(54)74(60)46-22-8-3-9-23-46/h1-41H
InChIKeyIZTOTNRVKYDQOI-UHFFFAOYSA-N
XLogP18.20
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.12
LogP ≤ 518.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767945
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 154602275
4-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176837796
4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 159816656
boranuide;4-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 159052403
4-dibenzofuran-4-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491359
4-dibenzofuran-4-yl-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 171437968
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 159835657
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-c]carbazole
CID 163831649
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole
CID 170240277
9-phenyl-1-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 162699405
9-[4-(9-dibenzofuran-4-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358021

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole (CID 139342719) is 9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole is c1ccc(-c2nc(-c3ccc4oc5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc5c4c3)nc(-c3ccc4oc5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc5c4c3)n2)cc1.
What is the InChIKey of 9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The InChIKey is IZTOTNRVKYDQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H41N5O2/c1-4-18-42(19-5-1)67-70-68(43-36-38-61-55(40-43)51-30-14-28-49(65(51)75-61)47-26-16-34-59-63(47)53-24-10-12-32-57(53)73(59)45-20-6-2-7-21-45)72-69(71-67)44-37-39-62-56(41-44)52-31-15-29-50(66(52)76-62)48-27-17-35-60-64(48)54-25-11-13-33-58(54)74(60)46-22-8-3-9-23-46/h1-41H.
What are the key properties of 9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole has a molecular weight of 972.12 g/mol, XLogP of 18.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 139342719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).