2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole

C50H32Br2N2 — CID 130303982

IUPAC2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole
SMILESBrc1ccc2c(c1)n(-c1ccccc1-c1cccc(-c3ccccc3)c1)c1c3ccc(Br)cc3n(-c3ccccc3-c3cccc(-c4ccccc4)c3)c21
InChIInChI=1S/C50H32Br2N2/c51-39-25-27-43-47(31-39)53(45-23-9-7-21-41(45)37-19-11-17-35(29-37)33-13-3-1-4-14-33)49-44-28-26-40(52)32-48(44)54(50(43)49)46-24-10-8-22-42(46)38-20-12-18-36(30-38)34-15-5-2-6-16-34/h1-32H
InChIKeyJHSAKXPBJBUZMZ-UHFFFAOYSA-N
MW820.63 g/mol
LogP14.92
Rot. Bonds6

About 2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole

2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole (PubChem CID 130303982) has the molecular formula C50H32Br2N2 and a molecular weight of 820.63 g/mol. Its IUPAC name is 2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole.

Molecular Properties

Compound Name2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole
PubChem CID130303982
Molecular FormulaC50H32Br2N2
Molecular Weight820.63 g/mol
Exact Mass818.09
IUPAC Name2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole
SMILESBrc1ccc2c(c1)n(-c1ccccc1-c1cccc(-c3ccccc3)c1)c1c3ccc(Br)cc3n(-c3ccccc3-c3cccc(-c4ccccc4)c3)c21
InChIInChI=1S/C50H32Br2N2/c51-39-25-27-43-47(31-39)53(45-23-9-7-21-41(45)37-19-11-17-35(29-37)33-13-3-1-4-14-33)49-44-28-26-40(52)32-48(44)54(50(43)49)46-24-10-8-22-42(46)38-20-12-18-36(30-38)34-15-5-2-6-16-34/h1-32H
InChIKeyJHSAKXPBJBUZMZ-UHFFFAOYSA-N
XLogP14.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.63
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-bis[4-[(E)-2-phenylethenyl]phenyl]-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane
CID 157482235
2-bromo-9-(3-phenylphenyl)carbazole
CID 118242889
2-phenyl-9-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]carbazole
CID 166037119
5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847706
2-(3-benzhydrylphenyl)-9-[2-(3-phenylphenyl)phenyl]carbazole
CID 144911594
11-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 175616505
7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 164847545
2-[2-(2-bromophenyl)phenyl]-9-[2-(2-phenylphenyl)phenyl]carbazole;2-[2-(2-bromophenyl)phenyl]-9-[2-(3-phenylphenyl)phenyl]carbazole;2-[2-(2-bromophenyl)phenyl]-9-[3-(2-phenylphenyl)phenyl]carbazole;2-[2-(2-bromophenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159170959
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-[3-(3-phenylphenyl)phenyl]phenyl]-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 175616615
3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole
CID 163652823
4-(3-phenylphenyl)-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 171458634
2-[3-(2-bromophenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 90216170

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole?
The IUPAC name of 2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole (CID 130303982) is 2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole.
What is the SMILES notation for 2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole?
The canonical SMILES for 2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole is Brc1ccc2c(c1)n(-c1ccccc1-c1cccc(-c3ccccc3)c1)c1c3ccc(Br)cc3n(-c3ccccc3-c3cccc(-c4ccccc4)c3)c21.
What is the InChIKey of 2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole?
The InChIKey is JHSAKXPBJBUZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32Br2N2/c51-39-25-27-43-47(31-39)53(45-23-9-7-21-41(45)37-19-11-17-35(29-37)33-13-3-1-4-14-33)49-44-28-26-40(52)32-48(44)54(50(43)49)46-24-10-8-22-42(46)38-20-12-18-36(30-38)34-15-5-2-6-16-34/h1-32H.
What are the key properties of 2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole?
2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole has a molecular weight of 820.63 g/mol, XLogP of 14.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole is sourced from PubChem (CID 130303982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).