8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine

C59H54N4S — CID 143830673

IUPAC8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine
SMILESCCCC(C)(c1ccc2c(c1)c1ccccc1n2C(CC)(CCC)c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccncc3c2c1)n1c2c(c3ccccc31)C=CC(C)C2
InChIInChI=1S/C59H54N4S/c1-6-30-58(5,62-52-19-13-10-15-42(52)45-25-21-38(4)33-55(45)62)39-22-27-54-47(34-39)44-17-11-14-20-53(44)63(54)59(8-3,31-7-2)40-23-26-51-46(35-40)43-16-9-12-18-50(43)61(51)41-24-28-56-48(36-41)49-37-60-32-29-57(49)64-56/h9-29,32,34-38H,6-8,30-31,33H2,1-5H3
InChIKeyTZCLFTLJWRUMHX-UHFFFAOYSA-N
MW851.18 g/mol
LogP16.33
Rot. Bonds10

About 8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine

8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine (PubChem CID 143830673) has the molecular formula C59H54N4S and a molecular weight of 851.18 g/mol. Its IUPAC name is 8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine.

Molecular Properties

Compound Name8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine
PubChem CID143830673
Molecular FormulaC59H54N4S
Molecular Weight851.18 g/mol
Exact Mass850.41
IUPAC Name8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine
SMILESCCCC(C)(c1ccc2c(c1)c1ccccc1n2C(CC)(CCC)c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccncc3c2c1)n1c2c(c3ccccc31)C=CC(C)C2
InChIInChI=1S/C59H54N4S/c1-6-30-58(5,62-52-19-13-10-15-42(52)45-25-21-38(4)33-55(45)62)39-22-27-54-47(34-39)44-17-11-14-20-53(44)63(54)59(8-3,31-7-2)40-23-26-51-46(35-40)43-16-9-12-18-50(43)61(51)41-24-28-56-48(36-41)49-37-60-32-29-57(49)64-56/h9-29,32,34-38H,6-8,30-31,33H2,1-5H3
InChIKeyTZCLFTLJWRUMHX-UHFFFAOYSA-N
XLogP16.33
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.18
LogP ≤ 516.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine with MolForge

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Related Compounds

3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 163785527
9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 118698975
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 70998803
8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine
CID 130286894
8-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 126596466
CID 144619443
CID 144619443
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole
CID 158656541
N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine
CID 163884371
8-pyrido[4,3-b]indol-5-yl-5-[3-(8-pyrido[4,3-b]indol-5-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole
CID 90251068
3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine
CID 59413762

Frequently Asked Questions

What is the IUPAC name of 8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine?
The IUPAC name of 8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine (CID 143830673) is 8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine.
What is the SMILES notation for 8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine?
The canonical SMILES for 8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine is CCCC(C)(c1ccc2c(c1)c1ccccc1n2C(CC)(CCC)c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccncc3c2c1)n1c2c(c3ccccc31)C=CC(C)C2.
What is the InChIKey of 8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine?
The InChIKey is TZCLFTLJWRUMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H54N4S/c1-6-30-58(5,62-52-19-13-10-15-42(52)45-25-21-38(4)33-55(45)62)39-22-27-54-47(34-39)44-17-11-14-20-53(44)63(54)59(8-3,31-7-2)40-23-26-51-46(35-40)43-16-9-12-18-50(43)61(51)41-24-28-56-48(36-41)49-37-60-32-29-57(49)64-56/h9-29,32,34-38H,6-8,30-31,33H2,1-5H3.
What are the key properties of 8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine?
8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine has a molecular weight of 851.18 g/mol, XLogP of 16.33, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine is sourced from PubChem (CID 143830673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).