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

C51H33N5O — CID 166961274

IUPAC9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole
SMILESc1ccc(-c2cccc3c2c2ccccc2n3-c2ccc3oc4ccc(C5=NC(n6c7ccccc7c7ccccc76)=NC(c6ccccc6)N5)cc4c3c2)cc1
InChIInChI=1S/C51H33N5O/c1-3-14-32(15-4-1)36-21-13-25-45-48(36)39-20-9-12-24-44(39)55(45)35-27-29-47-41(31-35)40-30-34(26-28-46(40)57-47)50-52-49(33-16-5-2-6-17-33)53-51(54-50)56-42-22-10-7-18-37(42)38-19-8-11-23-43(38)56/h1-31,49H,(H,52,53,54)
InChIKeyILQITXWRKUWKMY-UHFFFAOYSA-N
MW731.86 g/mol
LogP12.41
Rot. Bonds4

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

9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole (PubChem CID 166961274) has the molecular formula C51H33N5O and a molecular weight of 731.86 g/mol. Its IUPAC name is 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole.

Molecular Properties

Compound Name9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole
PubChem CID166961274
Molecular FormulaC51H33N5O
Molecular Weight731.86 g/mol
Exact Mass731.27
IUPAC Name9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole
SMILESc1ccc(-c2cccc3c2c2ccccc2n3-c2ccc3oc4ccc(C5=NC(n6c7ccccc7c7ccccc76)=NC(c6ccccc6)N5)cc4c3c2)cc1
InChIInChI=1S/C51H33N5O/c1-3-14-32(15-4-1)36-21-13-25-45-48(36)39-20-9-12-24-44(39)55(45)35-27-29-47-41(31-35)40-30-34(26-28-46(40)57-47)50-52-49(33-16-5-2-6-17-33)53-51(54-50)56-42-22-10-7-18-37(42)38-19-8-11-23-43(38)56/h1-31,49H,(H,52,53,54)
InChIKeyILQITXWRKUWKMY-UHFFFAOYSA-N
XLogP12.41
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 512.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole
CID 166961563
9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 166961266
3-[8-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 155077354
9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 166962098
2-phenyl-9-[8-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]carbazole
CID 166961321
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
CID 166962153
3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 162698987
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]carbazole
CID 166962570
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
3-[9-[9-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137218561
3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole
CID 154618864
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611

Frequently Asked Questions

What is the IUPAC name of 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole?
The IUPAC name of 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole (CID 166961274) is 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole.
What is the SMILES notation for 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole?
The canonical SMILES for 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole is c1ccc(-c2cccc3c2c2ccccc2n3-c2ccc3oc4ccc(C5=NC(n6c7ccccc7c7ccccc76)=NC(c6ccccc6)N5)cc4c3c2)cc1.
What is the InChIKey of 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole?
The InChIKey is ILQITXWRKUWKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5O/c1-3-14-32(15-4-1)36-21-13-25-45-48(36)39-20-9-12-24-44(39)55(45)35-27-29-47-41(31-35)40-30-34(26-28-46(40)57-47)50-52-49(33-16-5-2-6-17-33)53-51(54-50)56-42-22-10-7-18-37(42)38-19-8-11-23-43(38)56/h1-31,49H,(H,52,53,54).
What are the key properties of 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole?
9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole has a molecular weight of 731.86 g/mol, XLogP of 12.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole is sourced from PubChem (CID 166961274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).