9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

C51H32N4O — CID 170080349

IUPAC9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6n(-c6cccc7c6oc6cccc(-c8ccccc8)c67)c45)n3)cc2)cc1
InChIInChI=1S/C51H32N4O/c1-4-15-33(16-5-1)34-29-31-37(32-30-34)50-52-49(36-19-8-3-9-20-36)53-51(54-50)42-25-12-23-40-39-21-10-11-26-43(39)55(47(40)42)44-27-13-24-41-46-38(35-17-6-2-7-18-35)22-14-28-45(46)56-48(41)44/h1-32H
InChIKeyGTNACKYGDJBMHD-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

About 9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 170080349) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID170080349
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6n(-c6cccc7c6oc6cccc(-c8ccccc8)c67)c45)n3)cc2)cc1
InChIInChI=1S/C51H32N4O/c1-4-15-33(16-5-1)34-29-31-37(32-30-34)50-52-49(36-19-8-3-9-20-36)53-51(54-50)42-25-12-23-40-39-21-10-11-26-43(39)55(47(40)42)44-27-13-24-41-46-38(35-17-6-2-7-18-35)22-14-28-45(46)56-48(41)44/h1-32H
InChIKeyGTNACKYGDJBMHD-UHFFFAOYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-a]carbazole
CID 164757785
9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole
CID 176773398
9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155049823
3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 146491418
9-(9-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080111
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146333950
9,15-diphenyl-12-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[a]carbazole;7-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole
CID 163795615
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 146491297
7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163853917
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 170080011
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole
CID 166496047
10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 171591825

Frequently Asked Questions

What is the IUPAC name of 9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 170080349) is 9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6n(-c6cccc7c6oc6cccc(-c8ccccc8)c67)c45)n3)cc2)cc1.
What is the InChIKey of 9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is GTNACKYGDJBMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-4-15-33(16-5-1)34-29-31-37(32-30-34)50-52-49(36-19-8-3-9-20-36)53-51(54-50)42-25-12-23-40-39-21-10-11-26-43(39)55(47(40)42)44-27-13-24-41-46-38(35-17-6-2-7-18-35)22-14-28-45(46)56-48(41)44/h1-32H.
What are the key properties of 9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 170080349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).