3-(7,7-dimethyl-10-pyridin-3-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-6-pyridin-3-yl-9-(4-pyridin-4-ylphenyl)carbazole

C44H30N4S2 — CID 163509183

IUPAC3-(7,7-dimethyl-10-pyridin-3-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-6-pyridin-3-yl-9-(4-pyridin-4-ylphenyl)carbazole
SMILESCC1(C)c2cc(-c3cccnc3)sc2-c2sc(-c3ccc4c(c3)c3cc(-c5cccnc5)ccc3n4-c3ccc(-c4ccncc4)cc3)cc21
InChIInChI=1S/C44H30N4S2/c1-44(2)36-23-40(49-42(36)43-37(44)24-41(50-43)32-6-4-18-47-26-32)30-10-14-39-35(22-30)34-21-29(31-5-3-17-46-25-31)9-13-38(34)48(39)33-11-7-27(8-12-33)28-15-19-45-20-16-28/h3-26H,1-2H3
InChIKeyDBFFQQAHTSJAOA-UHFFFAOYSA-N
MW678.89 g/mol
LogP12.07
Rot. Bonds5

About 3-(7,7-dimethyl-10-pyridin-3-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-6-pyridin-3-yl-9-(4-pyridin-4-ylphenyl)carbazole

3-(7,7-dimethyl-10-pyridin-3-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-6-pyridin-3-yl-9-(4-pyridin-4-ylphenyl)carbazole (PubChem CID 163509183) has the molecular formula C44H30N4S2 and a molecular weight of 678.89 g/mol. Its IUPAC name is 3-(7,7-dimethyl-10-pyridin-3-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-6-pyridin-3-yl-9-(4-pyridin-4-ylphenyl)carbazole.

Molecular Properties

Compound Name3-(7,7-dimethyl-10-pyridin-3-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-6-pyridin-3-yl-9-(4-pyridin-4-ylphenyl)carbazole
PubChem CID163509183
Molecular FormulaC44H30N4S2
Molecular Weight678.89 g/mol
Exact Mass678.19
IUPAC Name3-(7,7-dimethyl-10-pyridin-3-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-6-pyridin-3-yl-9-(4-pyridin-4-ylphenyl)carbazole
SMILESCC1(C)c2cc(-c3cccnc3)sc2-c2sc(-c3ccc4c(c3)c3cc(-c5cccnc5)ccc3n4-c3ccc(-c4ccncc4)cc3)cc21
InChIInChI=1S/C44H30N4S2/c1-44(2)36-23-40(49-42(36)43-37(44)24-41(50-43)32-6-4-18-47-26-32)30-10-14-39-35(22-30)34-21-29(31-5-3-17-46-25-31)9-13-38(34)48(39)33-11-7-27(8-12-33)28-15-19-45-20-16-28/h3-26H,1-2H3
InChIKeyDBFFQQAHTSJAOA-UHFFFAOYSA-N
XLogP12.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.89
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(7,7-dimethyl-10-pyridin-3-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-6-pyridin-3-yl-9-(4-pyridin-4-ylphenyl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
3-pyridin-3-yl-9-[4-[4-[4-(2,2,3,3-tetramethylindol-1-yl)phenyl]phenyl]phenyl]carbazole
CID 90215679
9-[6-(3,5-dipyridin-3-ylphenyl)-9,9,10,10-tetramethylanthracen-2-yl]carbazole
CID 146209484
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 160869531
8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59372042
9-[4-[5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 59372075
8-pyridin-3-yl-5-[3-(8-pyridin-3-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole
CID 90251055
3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole
CID 164797248
9-[2,8-bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzothiophen-4-yl]-3,6-dipyridin-3-ylcarbazole
CID 58099806
9-dibenzothiophen-2-yl-2-phenyl-6-pyridin-3-ylcarbazole
CID 163526919
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
N-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 71248522

Frequently Asked Questions

What is the IUPAC name of 3-(7,7-dimethyl-10-pyridin-3-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-6-pyridin-3-yl-9-(4-pyridin-4-ylphenyl)carbazole?
The IUPAC name of 3-(7,7-dimethyl-10-pyridin-3-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-6-pyridin-3-yl-9-(4-pyridin-4-ylphenyl)carbazole (CID 163509183) is 3-(7,7-dimethyl-10-pyridin-3-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-6-pyridin-3-yl-9-(4-pyridin-4-ylphenyl)carbazole.
What is the SMILES notation for 3-(7,7-dimethyl-10-pyridin-3-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-6-pyridin-3-yl-9-(4-pyridin-4-ylphenyl)carbazole?
The canonical SMILES for 3-(7,7-dimethyl-10-pyridin-3-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-6-pyridin-3-yl-9-(4-pyridin-4-ylphenyl)carbazole is CC1(C)c2cc(-c3cccnc3)sc2-c2sc(-c3ccc4c(c3)c3cc(-c5cccnc5)ccc3n4-c3ccc(-c4ccncc4)cc3)cc21.
What is the InChIKey of 3-(7,7-dimethyl-10-pyridin-3-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-6-pyridin-3-yl-9-(4-pyridin-4-ylphenyl)carbazole?
The InChIKey is DBFFQQAHTSJAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4S2/c1-44(2)36-23-40(49-42(36)43-37(44)24-41(50-43)32-6-4-18-47-26-32)30-10-14-39-35(22-30)34-21-29(31-5-3-17-46-25-31)9-13-38(34)48(39)33-11-7-27(8-12-33)28-15-19-45-20-16-28/h3-26H,1-2H3.
What are the key properties of 3-(7,7-dimethyl-10-pyridin-3-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-6-pyridin-3-yl-9-(4-pyridin-4-ylphenyl)carbazole?
3-(7,7-dimethyl-10-pyridin-3-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-6-pyridin-3-yl-9-(4-pyridin-4-ylphenyl)carbazole has a molecular weight of 678.89 g/mol, XLogP of 12.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,7-dimethyl-10-pyridin-3-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-6-pyridin-3-yl-9-(4-pyridin-4-ylphenyl)carbazole is sourced from PubChem (CID 163509183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).