6-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-12-phenyl-3,4-dihydro-[1]benzothiolo[3,2-a]carbazole

C51H33N5S — CID 167148711

IUPAC6-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-12-phenyl-3,4-dihydro-[1]benzothiolo[3,2-a]carbazole
SMILESC1=Cc2c(sc3c(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc4c5ccccc5n(-c5ccccc5)c4c23)CC1
InChIInChI=1S/C51H33N5S/c1-2-14-33(15-3-1)56-46-22-8-5-17-36(46)40-31-38(51-49(50(40)56)37-18-6-9-23-48(37)57-51)32-24-25-47-39(28-32)35-16-4-7-21-45(35)55(47)34-29-43(41-19-10-12-26-52-41)54-44(30-34)42-20-11-13-27-53-42/h1-8,10-22,24-31H,9,23H2
InChIKeyANQNCTMDGHXLNH-UHFFFAOYSA-N
MW747.93 g/mol
LogP13.24
Rot. Bonds5

About 6-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-12-phenyl-3,4-dihydro-[1]benzothiolo[3,2-a]carbazole

6-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-12-phenyl-3,4-dihydro-[1]benzothiolo[3,2-a]carbazole (PubChem CID 167148711) has the molecular formula C51H33N5S and a molecular weight of 747.93 g/mol. Its IUPAC name is 6-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-12-phenyl-3,4-dihydro-[1]benzothiolo[3,2-a]carbazole.

Molecular Properties

Compound Name6-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-12-phenyl-3,4-dihydro-[1]benzothiolo[3,2-a]carbazole
PubChem CID167148711
Molecular FormulaC51H33N5S
Molecular Weight747.93 g/mol
Exact Mass747.25
IUPAC Name6-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-12-phenyl-3,4-dihydro-[1]benzothiolo[3,2-a]carbazole
SMILESC1=Cc2c(sc3c(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc4c5ccccc5n(-c5ccccc5)c4c23)CC1
InChIInChI=1S/C51H33N5S/c1-2-14-33(15-3-1)56-46-22-8-5-17-36(46)40-31-38(51-49(50(40)56)37-18-6-9-23-48(37)57-51)32-24-25-47-39(28-32)35-16-4-7-21-45(35)55(47)34-29-43(41-19-10-12-26-52-41)54-44(30-34)42-20-11-13-27-53-42/h1-8,10-22,24-31H,9,23H2
InChIKeyANQNCTMDGHXLNH-UHFFFAOYSA-N
XLogP13.24
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.93
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(6,7-dihydrodibenzothiophen-2-yl)-9,14-diphenyl-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-nonaene
CID 163755377
12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole
CID 167148692
5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole
CID 144884862
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole
CID 123696000
9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole
CID 67952723
8-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole
CID 129222029
1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 170203697
9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole
CID 164817113
8-[9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587644
2-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)phenyl]-4-phenyl-6,7-dihydro-[1]benzothiolo[3,2-d]pyrimidine
CID 123844288
15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122524051

Frequently Asked Questions

What is the IUPAC name of 6-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-12-phenyl-3,4-dihydro-[1]benzothiolo[3,2-a]carbazole?
The IUPAC name of 6-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-12-phenyl-3,4-dihydro-[1]benzothiolo[3,2-a]carbazole (CID 167148711) is 6-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-12-phenyl-3,4-dihydro-[1]benzothiolo[3,2-a]carbazole.
What is the SMILES notation for 6-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-12-phenyl-3,4-dihydro-[1]benzothiolo[3,2-a]carbazole?
The canonical SMILES for 6-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-12-phenyl-3,4-dihydro-[1]benzothiolo[3,2-a]carbazole is C1=Cc2c(sc3c(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc4c5ccccc5n(-c5ccccc5)c4c23)CC1.
What is the InChIKey of 6-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-12-phenyl-3,4-dihydro-[1]benzothiolo[3,2-a]carbazole?
The InChIKey is ANQNCTMDGHXLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5S/c1-2-14-33(15-3-1)56-46-22-8-5-17-36(46)40-31-38(51-49(50(40)56)37-18-6-9-23-48(37)57-51)32-24-25-47-39(28-32)35-16-4-7-21-45(35)55(47)34-29-43(41-19-10-12-26-52-41)54-44(30-34)42-20-11-13-27-53-42/h1-8,10-22,24-31H,9,23H2.
What are the key properties of 6-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-12-phenyl-3,4-dihydro-[1]benzothiolo[3,2-a]carbazole?
6-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-12-phenyl-3,4-dihydro-[1]benzothiolo[3,2-a]carbazole has a molecular weight of 747.93 g/mol, XLogP of 13.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-12-phenyl-3,4-dihydro-[1]benzothiolo[3,2-a]carbazole is sourced from PubChem (CID 167148711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).