7-[5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[c]carbazole

C53H30N4OS — CID 154968711

IUPAC7-[5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3cc4oc5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5c4c4ccccc34)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C53H30N4OS/c1-2-14-32(15-3-1)51-54-52(39-21-12-24-47-50(39)38-20-9-11-23-46(38)59-47)56-53(55-51)40-30-45-49(36-18-7-6-17-35(36)40)41-29-33(26-28-44(41)58-45)57-42-22-10-8-19-37(42)48-34-16-5-4-13-31(34)25-27-43(48)57/h1-30H
InChIKeyJNLLGJSBSIZYGK-UHFFFAOYSA-N
MW770.92 g/mol
LogP14.54
Rot. Bonds4

About 7-[5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[c]carbazole

7-[5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[c]carbazole (PubChem CID 154968711) has the molecular formula C53H30N4OS and a molecular weight of 770.92 g/mol. Its IUPAC name is 7-[5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[c]carbazole
PubChem CID154968711
Molecular FormulaC53H30N4OS
Molecular Weight770.92 g/mol
Exact Mass770.21
IUPAC Name7-[5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3cc4oc5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5c4c4ccccc34)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C53H30N4OS/c1-2-14-32(15-3-1)51-54-52(39-21-12-24-47-50(39)38-20-9-11-23-46(38)59-47)56-53(55-51)40-30-45-49(36-18-7-6-17-35(36)40)41-29-33(26-28-44(41)58-45)57-42-22-10-8-19-37(42)48-34-16-5-4-13-31(34)25-27-43(48)57/h1-30H
InChIKeyJNLLGJSBSIZYGK-UHFFFAOYSA-N
XLogP14.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.92
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole
CID 163623895
9-[9-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-3-phenylcarbazole
CID 166913990
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 130231214
2-[8-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine
CID 146491398
17-benzo[c]carbazol-7-yl-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 155006696
7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole
CID 167660567
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-3-(3-phenylphenyl)carbazole
CID 165166733
9-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 169011197
7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 166915327
12-[9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-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
CID 146491103
12-[4-[3-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 166916053
7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole
CID 162501390

Frequently Asked Questions

What is the IUPAC name of 7-[5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[c]carbazole?
The IUPAC name of 7-[5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[c]carbazole (CID 154968711) is 7-[5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[c]carbazole?
The canonical SMILES for 7-[5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[c]carbazole is c1ccc(-c2nc(-c3cc4oc5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5c4c4ccccc34)nc(-c3cccc4sc5ccccc5c34)n2)cc1.
What is the InChIKey of 7-[5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[c]carbazole?
The InChIKey is JNLLGJSBSIZYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N4OS/c1-2-14-32(15-3-1)51-54-52(39-21-12-24-47-50(39)38-20-9-11-23-46(38)59-47)56-53(55-51)40-30-45-49(36-18-7-6-17-35(36)40)41-29-33(26-28-44(41)58-45)57-42-22-10-8-19-37(42)48-34-16-5-4-13-31(34)25-27-43(48)57/h1-30H.
What are the key properties of 7-[5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[c]carbazole?
7-[5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[c]carbazole has a molecular weight of 770.92 g/mol, XLogP of 14.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[c]carbazole is sourced from PubChem (CID 154968711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).