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

C63H38N6O — CID 176874233

IUPAC1-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5cccc(-c6cccc7c8ccccc8n(-c8cccc9c8c8ccccc8n9-c8ccccc8)c67)c5c4c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C63H38N6O/c1-3-18-39(19-4-1)61-64-62(66-63(65-61)69-51-30-12-7-22-42(51)43-23-8-13-31-52(43)69)40-36-37-56-49(38-40)58-45(26-16-35-57(58)70-56)47-28-15-27-46-44-24-9-11-29-50(44)68(60(46)47)55-34-17-33-54-59(55)48-25-10-14-32-53(48)67(54)41-20-5-2-6-21-41/h1-38H
InChIKeyIKAHXGKUPBMPBA-UHFFFAOYSA-N
MW895.04 g/mol
LogP16.06
Rot. Bonds6

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

1-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole (PubChem CID 176874233) has the molecular formula C63H38N6O and a molecular weight of 895.04 g/mol. Its IUPAC name is 1-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole.

Molecular Properties

Compound Name1-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
PubChem CID176874233
Molecular FormulaC63H38N6O
Molecular Weight895.04 g/mol
Exact Mass894.31
IUPAC Name1-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5cccc(-c6cccc7c8ccccc8n(-c8cccc9c8c8ccccc8n9-c8ccccc8)c67)c5c4c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C63H38N6O/c1-3-18-39(19-4-1)61-64-62(66-63(65-61)69-51-30-12-7-22-42(51)43-23-8-13-31-52(43)69)40-36-37-56-49(38-40)58-45(26-16-35-57(58)70-56)47-28-15-27-46-44-24-9-11-29-50(44)68(60(46)47)55-34-17-33-54-59(55)48-25-10-14-32-53(48)67(54)41-20-5-2-6-21-41/h1-38H
InChIKeyIKAHXGKUPBMPBA-UHFFFAOYSA-N
XLogP16.06
TPSA66.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.04
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[8-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
CID 176874291
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154602228
9-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-1-yl]carbazole
CID 169010930
4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 170366972
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
CID 138475173
1-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768360
4-carbazol-9-yl-9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 142537341
2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475085
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 170080011
3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[8-(2-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 170080047

Frequently Asked Questions

What is the IUPAC name of 1-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole?
The IUPAC name of 1-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole (CID 176874233) is 1-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole.
What is the SMILES notation for 1-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole?
The canonical SMILES for 1-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole is c1ccc(-c2nc(-c3ccc4oc5cccc(-c6cccc7c8ccccc8n(-c8cccc9c8c8ccccc8n9-c8ccccc8)c67)c5c4c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 1-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole?
The InChIKey is IKAHXGKUPBMPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N6O/c1-3-18-39(19-4-1)61-64-62(66-63(65-61)69-51-30-12-7-22-42(51)43-23-8-13-31-52(43)69)40-36-37-56-49(38-40)58-45(26-16-35-57(58)70-56)47-28-15-27-46-44-24-9-11-29-50(44)68(60(46)47)55-34-17-33-54-59(55)48-25-10-14-32-53(48)67(54)41-20-5-2-6-21-41/h1-38H.
What are the key properties of 1-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole?
1-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole has a molecular weight of 895.04 g/mol, XLogP of 16.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole is sourced from PubChem (CID 176874233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).