5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-2,11-diphenylindolo[3,2-b]carbazole

C58H37N5O — CID 155160135

IUPAC5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-2,11-diphenylindolo[3,2-b]carbazole
SMILESCc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c2c(oc3ccccc32)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C58H37N5O/c1-36-32-51(54-43-27-15-17-29-52(43)64-55(54)53(36)58-60-56(38-20-8-3-9-21-38)59-57(61-58)39-22-10-4-11-23-39)63-48-31-30-40(37-18-6-2-7-19-37)33-44(48)46-35-49-45(34-50(46)63)42-26-14-16-28-47(42)62(49)41-24-12-5-13-25-41/h2-35H,1H3
InChIKeyCHLXRYURLAPNGO-UHFFFAOYSA-N
MW819.97 g/mol
LogP14.94
Rot. Bonds6

About 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-2,11-diphenylindolo[3,2-b]carbazole

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-2,11-diphenylindolo[3,2-b]carbazole (PubChem CID 155160135) has the molecular formula C58H37N5O and a molecular weight of 819.97 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-2,11-diphenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-2,11-diphenylindolo[3,2-b]carbazole
PubChem CID155160135
Molecular FormulaC58H37N5O
Molecular Weight819.97 g/mol
Exact Mass819.30
IUPAC Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-2,11-diphenylindolo[3,2-b]carbazole
SMILESCc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c2c(oc3ccccc32)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C58H37N5O/c1-36-32-51(54-43-27-15-17-29-52(43)64-55(54)53(36)58-60-56(38-20-8-3-9-21-38)59-57(61-58)39-22-10-4-11-23-39)63-48-31-30-40(37-18-6-2-7-19-37)33-44(48)46-35-49-45(34-50(46)63)42-26-14-16-28-47(42)62(49)41-24-12-5-13-25-41/h2-35H,1H3
InChIKeyCHLXRYURLAPNGO-UHFFFAOYSA-N
XLogP14.94
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.97
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-[1]benzofuro[3,2-b]carbazole
CID 155158601
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-carbonitrile
CID 155158816
2-dibenzofuran-2-yl-7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[2,3-b]carbazole
CID 155158827
5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714946
1-(5-dibenzofuran-2-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 155159131
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167200305
2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole
CID 155159974
9-phenyl-14-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155158767
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163842571
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149414
3-(9-phenylcarbazol-2-yl)-9-(4-phenyldibenzofuran-1-yl)carbazole
CID 167200371
5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-[1]benzofuro[3,2-c]carbazole
CID 155158595

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-2,11-diphenylindolo[3,2-b]carbazole?
The IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-2,11-diphenylindolo[3,2-b]carbazole (CID 155160135) is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-2,11-diphenylindolo[3,2-b]carbazole.
What is the SMILES notation for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-2,11-diphenylindolo[3,2-b]carbazole?
The canonical SMILES for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-2,11-diphenylindolo[3,2-b]carbazole is Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c2c(oc3ccccc32)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-2,11-diphenylindolo[3,2-b]carbazole?
The InChIKey is CHLXRYURLAPNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N5O/c1-36-32-51(54-43-27-15-17-29-52(43)64-55(54)53(36)58-60-56(38-20-8-3-9-21-38)59-57(61-58)39-22-10-4-11-23-39)63-48-31-30-40(37-18-6-2-7-19-37)33-44(48)46-35-49-45(34-50(46)63)42-26-14-16-28-47(42)62(49)41-24-12-5-13-25-41/h2-35H,1H3.
What are the key properties of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-2,11-diphenylindolo[3,2-b]carbazole?
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-2,11-diphenylindolo[3,2-b]carbazole has a molecular weight of 819.97 g/mol, XLogP of 14.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-2,11-diphenylindolo[3,2-b]carbazole is sourced from PubChem (CID 155160135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).