5-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole

C52H37N3S — CID 170177004

IUPAC5-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
SMILESCCCCc1ccc2sc3c(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)cccc3c2c1
InChIInChI=1S/C52H37N3S/c1-2-3-14-33-25-30-49-42(31-33)39-20-13-24-48(52(39)56-49)55-45-23-12-9-19-40(45)50-47(55)29-27-38-36-17-7-11-22-44(36)54(51(38)50)35-26-28-46-41(32-35)37-18-8-10-21-43(37)53(46)34-15-5-4-6-16-34/h4-13,15-32H,2-3,14H2,1H3
InChIKeySEMJFWKCOGECPG-UHFFFAOYSA-N
MW735.96 g/mol
LogP14.69
Rot. Bonds6

About 5-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole

5-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole (PubChem CID 170177004) has the molecular formula C52H37N3S and a molecular weight of 735.96 g/mol. Its IUPAC name is 5-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
PubChem CID170177004
Molecular FormulaC52H37N3S
Molecular Weight735.96 g/mol
Exact Mass735.27
IUPAC Name5-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
SMILESCCCCc1ccc2sc3c(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)cccc3c2c1
InChIInChI=1S/C52H37N3S/c1-2-3-14-33-25-30-49-42(31-33)39-20-13-24-48(52(39)56-49)55-45-23-12-9-19-40(45)50-47(55)29-27-38-36-17-7-11-22-44(36)54(51(38)50)35-26-28-46-41(32-35)37-18-8-10-21-43(37)53(46)34-15-5-4-6-16-34/h4-13,15-32H,2-3,14H2,1H3
InChIKeySEMJFWKCOGECPG-UHFFFAOYSA-N
XLogP14.69
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.96
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole
CID 168744298
5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 118504654
12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170176958
5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
CID 170394006
12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole
CID 164963553
3,8-di(carbazol-9-yl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 67952823
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
9-dibenzothiophen-2-yl-18-(3-methylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-4-yl-18-(3-methylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-(4-methylphenyl)-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 157115983
12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole
CID 146533062
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299
7-carbazol-9-yl-23-phenyl-3-thia-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene
CID 118545733
11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
CID 170268295

Frequently Asked Questions

What is the IUPAC name of 5-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole?
The IUPAC name of 5-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole (CID 170177004) is 5-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole is CCCCc1ccc2sc3c(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)cccc3c2c1.
What is the InChIKey of 5-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole?
The InChIKey is SEMJFWKCOGECPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3S/c1-2-3-14-33-25-30-49-42(31-33)39-20-13-24-48(52(39)56-49)55-45-23-12-9-19-40(45)50-47(55)29-27-38-36-17-7-11-22-44(36)54(51(38)50)35-26-28-46-41(32-35)37-18-8-10-21-43(37)53(46)34-15-5-4-6-16-34/h4-13,15-32H,2-3,14H2,1H3.
What are the key properties of 5-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole?
5-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole has a molecular weight of 735.96 g/mol, XLogP of 14.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 170177004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).