6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole

C52H34N2S — CID 163863686

IUPAC6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole
SMILESC1=Cc2c(n(-c3cccc(-c4ccccc4)c3)c3c2cc(-c2ccc4c(c2)c2ccccc2n4-c2cccc4ccccc24)c2sc4ccccc4c23)CC1
InChIInChI=1S/C52H34N2S/c1-2-14-33(15-3-1)35-18-12-19-37(30-35)53-46-24-9-7-22-40(46)44-32-42(52-50(51(44)53)41-23-8-11-27-49(41)55-52)36-28-29-48-43(31-36)39-21-6-10-25-47(39)54(48)45-26-13-17-34-16-4-5-20-38(34)45/h1-8,10-23,25-32H,9,24H2
InChIKeyPETQFLIEIWBWTM-UHFFFAOYSA-N
MW718.93 g/mol
LogP14.54
Rot. Bonds4

About 6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole

6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole (PubChem CID 163863686) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is 6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole.

Molecular Properties

Compound Name6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole
PubChem CID163863686
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC Name6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole
SMILESC1=Cc2c(n(-c3cccc(-c4ccccc4)c3)c3c2cc(-c2ccc4c(c2)c2ccccc2n4-c2cccc4ccccc24)c2sc4ccccc4c23)CC1
InChIInChI=1S/C52H34N2S/c1-2-14-33(15-3-1)35-18-12-19-37(30-35)53-46-24-9-7-22-40(46)44-32-42(52-50(51(44)53)41-23-8-11-27-49(41)55-52)36-28-29-48-43(31-36)39-21-6-10-25-47(39)54(48)45-26-13-17-34-16-4-5-20-38(34)45/h1-8,10-23,25-32H,9,24H2
InChIKeyPETQFLIEIWBWTM-UHFFFAOYSA-N
XLogP14.54
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.93
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole
CID 167148692
6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole;6-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole
CID 161013402
12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole
CID 159473458
5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 160706805
3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121653
2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 121343953
12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 134530240
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole
CID 170135931
8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243638
3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305808
12-naphthalen-1-yl-7-(9-phenyl-5,6-dihydrocarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole
CID 167148599
3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole
CID 176854301

Frequently Asked Questions

What is the IUPAC name of 6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole?
The IUPAC name of 6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole (CID 163863686) is 6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole.
What is the SMILES notation for 6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole?
The canonical SMILES for 6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole is C1=Cc2c(n(-c3cccc(-c4ccccc4)c3)c3c2cc(-c2ccc4c(c2)c2ccccc2n4-c2cccc4ccccc24)c2sc4ccccc4c23)CC1.
What is the InChIKey of 6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole?
The InChIKey is PETQFLIEIWBWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-2-14-33(15-3-1)35-18-12-19-37(30-35)53-46-24-9-7-22-40(46)44-32-42(52-50(51(44)53)41-23-8-11-27-49(41)55-52)36-28-29-48-43(31-36)39-21-6-10-25-47(39)54(48)45-26-13-17-34-16-4-5-20-38(34)45/h1-8,10-23,25-32H,9,24H2.
What are the key properties of 6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole?
6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole has a molecular weight of 718.93 g/mol, XLogP of 14.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole is sourced from PubChem (CID 163863686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).