5,12-bis[4-[3,5-bis(benzenesulfonyl)phenyl]phenyl]indolo[3,2-c]carbazole

C66H44N2O8S4 — CID 130353033

IUPAC5,12-bis[4-[3,5-bis(benzenesulfonyl)phenyl]phenyl]indolo[3,2-c]carbazole
SMILESO=S(=O)(c1ccccc1)c1cc(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(-c6cc(S(=O)(=O)c7ccccc7)cc(S(=O)(=O)c7ccccc7)c6)cc5)c34)cc2)cc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C66H44N2O8S4/c69-77(70,51-17-5-1-6-18-51)55-39-47(40-56(43-55)78(71,72)52-19-7-2-8-20-52)45-29-33-49(34-30-45)67-63-28-16-14-26-61(63)65-64(67)38-37-60-59-25-13-15-27-62(59)68(66(60)65)50-35-31-46(32-36-50)48-41-57(79(73,74)53-21-9-3-10-22-53)44-58(42-48)80(75,76)54-23-11-4-12-24-54/h1-44H
InChIKeyMMCBLOLBPPZACV-UHFFFAOYSA-N
MW1121.35 g/mol
LogP14.55
Rot. Bonds12

About 5,12-bis[4-[3,5-bis(benzenesulfonyl)phenyl]phenyl]indolo[3,2-c]carbazole

5,12-bis[4-[3,5-bis(benzenesulfonyl)phenyl]phenyl]indolo[3,2-c]carbazole (PubChem CID 130353033) has the molecular formula C66H44N2O8S4 and a molecular weight of 1121.35 g/mol. Its IUPAC name is 5,12-bis[4-[3,5-bis(benzenesulfonyl)phenyl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5,12-bis[4-[3,5-bis(benzenesulfonyl)phenyl]phenyl]indolo[3,2-c]carbazole
PubChem CID130353033
Molecular FormulaC66H44N2O8S4
Molecular Weight1121.35 g/mol
Exact Mass1120.20
IUPAC Name5,12-bis[4-[3,5-bis(benzenesulfonyl)phenyl]phenyl]indolo[3,2-c]carbazole
SMILESO=S(=O)(c1ccccc1)c1cc(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(-c6cc(S(=O)(=O)c7ccccc7)cc(S(=O)(=O)c7ccccc7)c6)cc5)c34)cc2)cc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C66H44N2O8S4/c69-77(70,51-17-5-1-6-18-51)55-39-47(40-56(43-55)78(71,72)52-19-7-2-8-20-52)45-29-33-49(34-30-45)67-63-28-16-14-26-61(63)65-64(67)38-37-60-59-25-13-15-27-62(59)68(66(60)65)50-35-31-46(32-36-50)48-41-57(79(73,74)53-21-9-3-10-22-53)44-58(42-48)80(75,76)54-23-11-4-12-24-54/h1-44H
InChIKeyMMCBLOLBPPZACV-UHFFFAOYSA-N
XLogP14.55
TPSA146.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001121.35
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

12-(3,5-diphenylphenyl)-5-phenylindolo[3,2-c]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 167636301
9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole
CID 122679743
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
12-phenyl-5-[3-phenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 58038424
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
buta-1,3-diene;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 142356726

Frequently Asked Questions

What is the IUPAC name of 5,12-bis[4-[3,5-bis(benzenesulfonyl)phenyl]phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 5,12-bis[4-[3,5-bis(benzenesulfonyl)phenyl]phenyl]indolo[3,2-c]carbazole (CID 130353033) is 5,12-bis[4-[3,5-bis(benzenesulfonyl)phenyl]phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5,12-bis[4-[3,5-bis(benzenesulfonyl)phenyl]phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 5,12-bis[4-[3,5-bis(benzenesulfonyl)phenyl]phenyl]indolo[3,2-c]carbazole is O=S(=O)(c1ccccc1)c1cc(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(-c6cc(S(=O)(=O)c7ccccc7)cc(S(=O)(=O)c7ccccc7)c6)cc5)c34)cc2)cc(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 5,12-bis[4-[3,5-bis(benzenesulfonyl)phenyl]phenyl]indolo[3,2-c]carbazole?
The InChIKey is MMCBLOLBPPZACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O8S4/c69-77(70,51-17-5-1-6-18-51)55-39-47(40-56(43-55)78(71,72)52-19-7-2-8-20-52)45-29-33-49(34-30-45)67-63-28-16-14-26-61(63)65-64(67)38-37-60-59-25-13-15-27-62(59)68(66(60)65)50-35-31-46(32-36-50)48-41-57(79(73,74)53-21-9-3-10-22-53)44-58(42-48)80(75,76)54-23-11-4-12-24-54/h1-44H.
What are the key properties of 5,12-bis[4-[3,5-bis(benzenesulfonyl)phenyl]phenyl]indolo[3,2-c]carbazole?
5,12-bis[4-[3,5-bis(benzenesulfonyl)phenyl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 1121.35 g/mol, XLogP of 14.55, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis[4-[3,5-bis(benzenesulfonyl)phenyl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 130353033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).