5-[2-(3,5-diphenylphenyl)-6H-benzo[c]thiochromen-9-yl]-7,7-dimethylindeno[2,1-b]carbazole

C52H37NS — CID 129136381

IUPAC5-[2-(3,5-diphenylphenyl)-6H-benzo[c]thiochromen-9-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)-c4cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)ccc4SC5)c3cc21
InChIInChI=1S/C52H37NS/c1-52(2)47-19-11-9-17-41(47)44-30-45-42-18-10-12-20-49(42)53(50(45)31-48(44)52)40-23-21-36-32-54-51-24-22-35(28-46(51)43(36)29-40)39-26-37(33-13-5-3-6-14-33)25-38(27-39)34-15-7-4-8-16-34/h3-31H,32H2,1-2H3
InChIKeyDEZOYWVIAPDKCP-UHFFFAOYSA-N
MW707.94 g/mol
LogP14.36
Rot. Bonds4

About 5-[2-(3,5-diphenylphenyl)-6H-benzo[c]thiochromen-9-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-[2-(3,5-diphenylphenyl)-6H-benzo[c]thiochromen-9-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 129136381) has the molecular formula C52H37NS and a molecular weight of 707.94 g/mol. Its IUPAC name is 5-[2-(3,5-diphenylphenyl)-6H-benzo[c]thiochromen-9-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[2-(3,5-diphenylphenyl)-6H-benzo[c]thiochromen-9-yl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID129136381
Molecular FormulaC52H37NS
Molecular Weight707.94 g/mol
Exact Mass707.26
IUPAC Name5-[2-(3,5-diphenylphenyl)-6H-benzo[c]thiochromen-9-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)-c4cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)ccc4SC5)c3cc21
InChIInChI=1S/C52H37NS/c1-52(2)47-19-11-9-17-41(47)44-30-45-42-18-10-12-20-49(42)53(50(45)31-48(44)52)40-23-21-36-32-54-51-24-22-35(28-46(51)43(36)29-40)39-26-37(33-13-5-3-6-14-33)25-38(27-39)34-15-7-4-8-16-34/h3-31H,32H2,1-2H3
InChIKeyDEZOYWVIAPDKCP-UHFFFAOYSA-N
XLogP14.36
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.94
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;iodomethane
CID 158767390
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
5-(3-carbazol-9-yl-4-phenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 126592248
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-diphenylphenyl)-6H-benzo[c]thiochromen-9-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[2-(3,5-diphenylphenyl)-6H-benzo[c]thiochromen-9-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 129136381) is 5-[2-(3,5-diphenylphenyl)-6H-benzo[c]thiochromen-9-yl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[2-(3,5-diphenylphenyl)-6H-benzo[c]thiochromen-9-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[2-(3,5-diphenylphenyl)-6H-benzo[c]thiochromen-9-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)-c4cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)ccc4SC5)c3cc21.
What is the InChIKey of 5-[2-(3,5-diphenylphenyl)-6H-benzo[c]thiochromen-9-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is DEZOYWVIAPDKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37NS/c1-52(2)47-19-11-9-17-41(47)44-30-45-42-18-10-12-20-49(42)53(50(45)31-48(44)52)40-23-21-36-32-54-51-24-22-35(28-46(51)43(36)29-40)39-26-37(33-13-5-3-6-14-33)25-38(27-39)34-15-7-4-8-16-34/h3-31H,32H2,1-2H3.
What are the key properties of 5-[2-(3,5-diphenylphenyl)-6H-benzo[c]thiochromen-9-yl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[2-(3,5-diphenylphenyl)-6H-benzo[c]thiochromen-9-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 707.94 g/mol, XLogP of 14.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-diphenylphenyl)-6H-benzo[c]thiochromen-9-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 129136381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).