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

C51H33N5O — CID 166961286

IUPAC9-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
SMILESc1ccc(C2=NC(c3cccc4oc5cc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)ccc5c34)N=C(n3c4ccccc4c4ccccc43)N2)cc1
InChIInChI=1S/C51H33N5O/c1-3-14-32(15-4-1)34-26-29-45-41(30-34)38-20-9-10-22-42(38)55(45)35-27-28-39-47(31-35)57-46-25-13-21-40(48(39)46)50-52-49(33-16-5-2-6-17-33)53-51(54-50)56-43-23-11-7-18-36(43)37-19-8-12-24-44(37)56/h1-31,50H,(H,52,53,54)
InChIKeyQHBWDBQCLYEJJR-UHFFFAOYSA-N
MW731.86 g/mol
LogP12.41
Rot. Bonds4

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

9-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole (PubChem CID 166961286) has the molecular formula C51H33N5O and a molecular weight of 731.86 g/mol. Its IUPAC name is 9-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
PubChem CID166961286
Molecular FormulaC51H33N5O
Molecular Weight731.86 g/mol
Exact Mass731.27
IUPAC Name9-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
SMILESc1ccc(C2=NC(c3cccc4oc5cc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)ccc5c34)N=C(n3c4ccccc4c4ccccc43)N2)cc1
InChIInChI=1S/C51H33N5O/c1-3-14-32(15-4-1)34-26-29-45-41(30-34)38-20-9-10-22-42(38)55(45)35-27-28-39-47(31-35)57-46-25-13-21-40(48(39)46)50-52-49(33-16-5-2-6-17-33)53-51(54-50)56-43-23-11-7-18-36(43)37-19-8-12-24-44(37)56/h1-31,50H,(H,52,53,54)
InChIKeyQHBWDBQCLYEJJR-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

3-[6-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 166961453
2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030009
2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167029928
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl]carbazole
CID 146664219
4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170248098
2-dibenzofuran-1-yl-9-[2-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 170130380
3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole
CID 123172924
9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole
CID 146664773
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484
9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole
CID 163680137

Frequently Asked Questions

What is the IUPAC name of 9-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole?
The IUPAC name of 9-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole (CID 166961286) is 9-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole.
What is the SMILES notation for 9-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole?
The canonical SMILES for 9-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole is c1ccc(C2=NC(c3cccc4oc5cc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)ccc5c34)N=C(n3c4ccccc4c4ccccc43)N2)cc1.
What is the InChIKey of 9-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole?
The InChIKey is QHBWDBQCLYEJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5O/c1-3-14-32(15-4-1)34-26-29-45-41(30-34)38-20-9-10-22-42(38)55(45)35-27-28-39-47(31-35)57-46-25-13-21-40(48(39)46)50-52-49(33-16-5-2-6-17-33)53-51(54-50)56-43-23-11-7-18-36(43)37-19-8-12-24-44(37)56/h1-31,50H,(H,52,53,54).
What are the key properties of 9-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole?
9-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-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-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole is sourced from PubChem (CID 166961286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).