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

C69H41N7O — CID 176874291

IUPAC1-[8-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5cccc(-c6cccc7oc8ccc(-c9nc(-n%10c%11ccccc%11c%11ccccc%11%10)nc(-n%10c%11ccccc%11c%11ccccc%11%10)n9)cc8c67)c54)cccc32)cc1
InChIInChI=1S/C69H41N7O/c1-2-19-43(20-3-1)73-59-35-15-9-26-52(59)65-60(73)36-18-37-61(65)74-54-30-10-8-25-48(54)50-28-16-29-51(66(50)74)49-27-17-38-63-64(49)53-41-42(39-40-62(53)77-63)67-70-68(75-55-31-11-4-21-44(55)45-22-5-12-32-56(45)75)72-69(71-67)76-57-33-13-6-23-46(57)47-24-7-14-34-58(47)76/h1-41H
InChIKeyHSPVXDBSWADHJS-UHFFFAOYSA-N
MW984.13 g/mol
LogP17.49
Rot. Bonds6

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

1-[8-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole (PubChem CID 176874291) has the molecular formula C69H41N7O and a molecular weight of 984.13 g/mol. Its IUPAC name is 1-[8-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole.

Molecular Properties

Compound Name1-[8-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
PubChem CID176874291
Molecular FormulaC69H41N7O
Molecular Weight984.13 g/mol
Exact Mass983.34
IUPAC Name1-[8-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5cccc(-c6cccc7oc8ccc(-c9nc(-n%10c%11ccccc%11c%11ccccc%11%10)nc(-n%10c%11ccccc%11c%11ccccc%11%10)n9)cc8c67)c54)cccc32)cc1
InChIInChI=1S/C69H41N7O/c1-2-19-43(20-3-1)73-59-35-15-9-26-52(59)65-60(73)36-18-37-61(65)74-54-30-10-8-25-48(54)50-28-16-29-51(66(50)74)49-27-17-38-63-64(49)53-41-42(39-40-62(53)77-63)67-70-68(75-55-31-11-4-21-44(55)45-22-5-12-32-56(45)75)72-69(71-67)76-57-33-13-6-23-46(57)47-24-7-14-34-58(47)76/h1-41H
InChIKeyHSPVXDBSWADHJS-UHFFFAOYSA-N
XLogP17.49
TPSA71.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.13
LogP ≤ 517.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
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-[9-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767917
2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole
CID 138475052
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
CID 176874272

Frequently Asked Questions

What is the IUPAC name of 1-[8-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole?
The IUPAC name of 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) is 1-[8-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole.
What is the SMILES notation for 1-[8-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole?
The canonical SMILES for 1-[8-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole is c1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5cccc(-c6cccc7oc8ccc(-c9nc(-n%10c%11ccccc%11c%11ccccc%11%10)nc(-n%10c%11ccccc%11c%11ccccc%11%10)n9)cc8c67)c54)cccc32)cc1.
What is the InChIKey of 1-[8-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole?
The InChIKey is HSPVXDBSWADHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H41N7O/c1-2-19-43(20-3-1)73-59-35-15-9-26-52(59)65-60(73)36-18-37-61(65)74-54-30-10-8-25-48(54)50-28-16-29-51(66(50)74)49-27-17-38-63-64(49)53-41-42(39-40-62(53)77-63)67-70-68(75-55-31-11-4-21-44(55)45-22-5-12-32-56(45)75)72-69(71-67)76-57-33-13-6-23-46(57)47-24-7-14-34-58(47)76/h1-41H.
What are the key properties of 1-[8-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole?
1-[8-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole has a molecular weight of 984.13 g/mol, XLogP of 17.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole is sourced from PubChem (CID 176874291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).