9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole

C58H38N4O — CID 167043015

IUPAC9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3c(C4CCc5cc6ccccc6cc5-c5ccccc54)ccc4c3oc3ccccc34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C58H38N4O/c1-3-16-36(17-4-1)56-59-57(48-26-15-28-51-53(48)47-25-11-13-27-50(47)62(51)40-20-5-2-6-21-40)61-58(60-56)54-45(32-33-46-44-24-12-14-29-52(44)63-55(46)54)43-31-30-39-34-37-18-7-8-19-38(37)35-49(39)42-23-10-9-22-41(42)43/h1-29,32-35,43H,30-31H2
InChIKeyNCWVPXFAICWXKJ-UHFFFAOYSA-N
MW806.97 g/mol
LogP14.77
Rot. Bonds5

About 9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole

9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 167043015) has the molecular formula C58H38N4O and a molecular weight of 806.97 g/mol. Its IUPAC name is 9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole
PubChem CID167043015
Molecular FormulaC58H38N4O
Molecular Weight806.97 g/mol
Exact Mass806.30
IUPAC Name9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3c(C4CCc5cc6ccccc6cc5-c5ccccc54)ccc4c3oc3ccccc34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C58H38N4O/c1-3-16-36(17-4-1)56-59-57(48-26-15-28-51-53(48)47-25-11-13-27-50(47)62(51)40-20-5-2-6-21-40)61-58(60-56)54-45(32-33-46-44-24-12-14-29-52(44)63-55(46)54)43-31-30-39-34-37-18-7-8-19-38(37)35-49(39)42-23-10-9-22-41(42)43/h1-29,32-35,43H,30-31H2
InChIKeyNCWVPXFAICWXKJ-UHFFFAOYSA-N
XLogP14.77
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.97
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole with MolForge

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Related Compounds

9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole
CID 166700833
9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole
CID 166699724
2-dibenzofuran-1-yl-4-phenyl-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166699923
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 167042969
2-naphthalen-2-yl-4-phenyl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 167043634
3-(4-naphtho[1,2-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 146658073
4-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767945
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167348048
12-[2-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166699655
4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 159816656
boranuide;4-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 159052403
8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 163505765

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole (CID 167043015) is 9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3c(C4CCc5cc6ccccc6cc5-c5ccccc54)ccc4c3oc3ccccc34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is NCWVPXFAICWXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4O/c1-3-16-36(17-4-1)56-59-57(48-26-15-28-51-53(48)47-25-11-13-27-50(47)62(51)40-20-5-2-6-21-40)61-58(60-56)54-45(32-33-46-44-24-12-14-29-52(44)63-55(46)54)43-31-30-39-34-37-18-7-8-19-38(37)35-49(39)42-23-10-9-22-41(42)43/h1-29,32-35,43H,30-31H2.
What are the key properties of 9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole?
9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 806.97 g/mol, XLogP of 14.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 167043015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).