9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole

C49H28N4OS — CID 164707515

IUPAC9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4c4ccccc34)n2)cc1
InChIInChI=1S/C49H28N4OS/c1-2-13-29(14-3-1)47-50-48(30-25-26-44-37(27-30)34-18-8-11-24-43(34)55-44)52-49(51-47)38-28-42-45(35-19-5-4-15-31(35)38)36-20-12-23-41(46(36)54-42)53-39-21-9-6-16-32(39)33-17-7-10-22-40(33)53/h1-28H
InChIKeyPTLFGWNULKYMQR-UHFFFAOYSA-N
MW720.86 g/mol
LogP13.39
Rot. Bonds4

About 9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole

9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole (PubChem CID 164707515) has the molecular formula C49H28N4OS and a molecular weight of 720.86 g/mol. Its IUPAC name is 9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole.

Molecular Properties

Compound Name9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
PubChem CID164707515
Molecular FormulaC49H28N4OS
Molecular Weight720.86 g/mol
Exact Mass720.20
IUPAC Name9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4c4ccccc34)n2)cc1
InChIInChI=1S/C49H28N4OS/c1-2-13-29(14-3-1)47-50-48(30-25-26-44-37(27-30)34-18-8-11-24-43(34)55-44)52-49(51-47)38-28-42-45(35-19-5-4-15-31(35)38)36-20-12-23-41(46(36)54-42)53-39-21-9-6-16-32(39)33-17-7-10-22-40(33)53/h1-28H
InChIKeyPTLFGWNULKYMQR-UHFFFAOYSA-N
XLogP13.39
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.86
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 165075451
9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-4-yl]carbazole
CID 169011254
9-[7-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]carbazole
CID 170370315
9-dibenzofuran-4-yl-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole
CID 154601825
9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 168721833
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-5-yl]carbazole
CID 146664357
9-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
CID 155120615
9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
CID 177287155
9-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 166952650
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010600
9-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500030
9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438015

Frequently Asked Questions

What is the IUPAC name of 9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole?
The IUPAC name of 9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole (CID 164707515) is 9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole.
What is the SMILES notation for 9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole?
The canonical SMILES for 9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole is c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4c4ccccc34)n2)cc1.
What is the InChIKey of 9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole?
The InChIKey is PTLFGWNULKYMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4OS/c1-2-13-29(14-3-1)47-50-48(30-25-26-44-37(27-30)34-18-8-11-24-43(34)55-44)52-49(51-47)38-28-42-45(35-19-5-4-15-31(35)38)36-20-12-23-41(46(36)54-42)53-39-21-9-6-16-32(39)33-17-7-10-22-40(33)53/h1-28H.
What are the key properties of 9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole?
9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole has a molecular weight of 720.86 g/mol, XLogP of 13.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole is sourced from PubChem (CID 164707515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).