5-[3-bromo-5-(12H-indolo[3,2-c]carbazol-5-yl)phenyl]-12H-indolo[3,2-c]carbazole

C42H25BrN4 — CID 118670470

IUPAC5-[3-bromo-5-(12H-indolo[3,2-c]carbazol-5-yl)phenyl]-12H-indolo[3,2-c]carbazole
SMILESBrc1cc(-n2c3ccccc3c3c4[nH]c5ccccc5c4ccc32)cc(-n2c3ccccc3c3c4[nH]c5ccccc5c4ccc32)c1
InChIInChI=1S/C42H25BrN4/c43-24-21-25(46-35-15-7-3-11-31(35)39-37(46)19-17-29-27-9-1-5-13-33(27)44-41(29)39)23-26(22-24)47-36-16-8-4-12-32(36)40-38(47)20-18-30-28-10-2-6-14-34(28)45-42(30)40/h1-23,44-45H
InChIKeyIAQWGSIAKFSCKG-UHFFFAOYSA-N
MW665.59 g/mol
LogP11.91
Rot. Bonds2

About 5-[3-bromo-5-(12H-indolo[3,2-c]carbazol-5-yl)phenyl]-12H-indolo[3,2-c]carbazole

5-[3-bromo-5-(12H-indolo[3,2-c]carbazol-5-yl)phenyl]-12H-indolo[3,2-c]carbazole (PubChem CID 118670470) has the molecular formula C42H25BrN4 and a molecular weight of 665.59 g/mol. Its IUPAC name is 5-[3-bromo-5-(12H-indolo[3,2-c]carbazol-5-yl)phenyl]-12H-indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-bromo-5-(12H-indolo[3,2-c]carbazol-5-yl)phenyl]-12H-indolo[3,2-c]carbazole
PubChem CID118670470
Molecular FormulaC42H25BrN4
Molecular Weight665.59 g/mol
Exact Mass664.13
IUPAC Name5-[3-bromo-5-(12H-indolo[3,2-c]carbazol-5-yl)phenyl]-12H-indolo[3,2-c]carbazole
SMILESBrc1cc(-n2c3ccccc3c3c4[nH]c5ccccc5c4ccc32)cc(-n2c3ccccc3c3c4[nH]c5ccccc5c4ccc32)c1
InChIInChI=1S/C42H25BrN4/c43-24-21-25(46-35-15-7-3-11-31(35)39-37(46)19-17-29-27-9-1-5-13-33(27)44-41(29)39)23-26(22-24)47-36-16-8-4-12-32(36)40-38(47)20-18-30-28-10-2-6-14-34(28)45-42(30)40/h1-23,44-45H
InChIKeyIAQWGSIAKFSCKG-UHFFFAOYSA-N
XLogP11.91
TPSA41.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.59
LogP ≤ 511.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-5-(12H-indolo[3,2-c]carbazol-5-yl)phenyl]-12H-indolo[3,2-c]carbazole?
The IUPAC name of 5-[3-bromo-5-(12H-indolo[3,2-c]carbazol-5-yl)phenyl]-12H-indolo[3,2-c]carbazole (CID 118670470) is 5-[3-bromo-5-(12H-indolo[3,2-c]carbazol-5-yl)phenyl]-12H-indolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3-bromo-5-(12H-indolo[3,2-c]carbazol-5-yl)phenyl]-12H-indolo[3,2-c]carbazole?
The canonical SMILES for 5-[3-bromo-5-(12H-indolo[3,2-c]carbazol-5-yl)phenyl]-12H-indolo[3,2-c]carbazole is Brc1cc(-n2c3ccccc3c3c4[nH]c5ccccc5c4ccc32)cc(-n2c3ccccc3c3c4[nH]c5ccccc5c4ccc32)c1.
What is the InChIKey of 5-[3-bromo-5-(12H-indolo[3,2-c]carbazol-5-yl)phenyl]-12H-indolo[3,2-c]carbazole?
The InChIKey is IAQWGSIAKFSCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25BrN4/c43-24-21-25(46-35-15-7-3-11-31(35)39-37(46)19-17-29-27-9-1-5-13-33(27)44-41(29)39)23-26(22-24)47-36-16-8-4-12-32(36)40-38(47)20-18-30-28-10-2-6-14-34(28)45-42(30)40/h1-23,44-45H.
What are the key properties of 5-[3-bromo-5-(12H-indolo[3,2-c]carbazol-5-yl)phenyl]-12H-indolo[3,2-c]carbazole?
5-[3-bromo-5-(12H-indolo[3,2-c]carbazol-5-yl)phenyl]-12H-indolo[3,2-c]carbazole has a molecular weight of 665.59 g/mol, XLogP of 11.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-5-(12H-indolo[3,2-c]carbazol-5-yl)phenyl]-12H-indolo[3,2-c]carbazole is sourced from PubChem (CID 118670470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).