9-[2-[4-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole

C55H34N4S — CID 172500143

IUPAC9-[2-[4-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5sc5c7ccccc7ccc65)c4)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C55H34N4S/c1-3-15-35(16-4-1)38-30-32-47(50(34-38)59-48-27-11-9-23-43(48)44-24-10-12-28-49(44)59)55-57-53(37-18-5-2-6-19-37)56-54(58-55)40-21-13-20-39(33-40)42-25-14-26-45-46-31-29-36-17-7-8-22-41(36)51(46)60-52(42)45/h1-34H
InChIKeyVXGMTJDCOGKBPO-UHFFFAOYSA-N
MW782.97 g/mol
LogP14.82
Rot. Bonds6

About 9-[2-[4-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole

9-[2-[4-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole (PubChem CID 172500143) has the molecular formula C55H34N4S and a molecular weight of 782.97 g/mol. Its IUPAC name is 9-[2-[4-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole.

Molecular Properties

Compound Name9-[2-[4-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
PubChem CID172500143
Molecular FormulaC55H34N4S
Molecular Weight782.97 g/mol
Exact Mass782.25
IUPAC Name9-[2-[4-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5sc5c7ccccc7ccc65)c4)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C55H34N4S/c1-3-15-35(16-4-1)38-30-32-47(50(34-38)59-48-27-11-9-23-43(48)44-24-10-12-28-49(44)59)55-57-53(37-18-5-2-6-19-37)56-54(58-55)40-21-13-20-39(33-40)42-25-14-26-45-46-31-29-36-17-7-8-22-41(36)51(46)60-52(42)45/h1-34H
InChIKeyVXGMTJDCOGKBPO-UHFFFAOYSA-N
XLogP14.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.97
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[5-naphthalen-1-yl-2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659152
9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659085
9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500039
9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 139303113
9-[2-[4-[3-(6-isocyanodibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500002
9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500254
9-[2-[4-phenanthren-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170659105
9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole
CID 172500015
9-[2-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500324
9-[5-phenyl-2-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658891
9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole
CID 170658935
9-[5-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-(3-phenylphenyl)phenyl]carbazole
CID 170659247

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
The IUPAC name of 9-[2-[4-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole (CID 172500143) is 9-[2-[4-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole.
What is the SMILES notation for 9-[2-[4-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
The canonical SMILES for 9-[2-[4-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5sc5c7ccccc7ccc65)c4)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-[2-[4-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
The InChIKey is VXGMTJDCOGKBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4S/c1-3-15-35(16-4-1)38-30-32-47(50(34-38)59-48-27-11-9-23-43(48)44-24-10-12-28-49(44)59)55-57-53(37-18-5-2-6-19-37)56-54(58-55)40-21-13-20-39(33-40)42-25-14-26-45-46-31-29-36-17-7-8-22-41(36)51(46)60-52(42)45/h1-34H.
What are the key properties of 9-[2-[4-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
9-[2-[4-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole has a molecular weight of 782.97 g/mol, XLogP of 14.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole is sourced from PubChem (CID 172500143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).