2-bromo-5-[5-(2-bromo-10H-indolo[3,2-b]quinolin-5-ium-5-yl)pentyl]-10H-indolo[3,2-b]quinolin-5-ium

C35H28Br2N4+2 — CID 58985814

IUPAC2-bromo-5-[5-(2-bromo-10H-indolo[3,2-b]quinolin-5-ium-5-yl)pentyl]-10H-indolo[3,2-b]quinolin-5-ium
SMILESBrc1ccc2c(c1)cc1[nH]c3ccccc3c1[n+]2CCCCC[n+]1c2ccc(Br)cc2cc2[nH]c3ccccc3c21
InChIInChI=1S/C35H26Br2N4/c36-24-12-14-32-22(18-24)20-30-34(26-8-2-4-10-28(26)38-30)40(32)16-6-1-7-17-41-33-15-13-25(37)19-23(33)21-31-35(41)27-9-3-5-11-29(27)39-31/h2-5,8-15,18-21H,1,6-7,16-17H2/p+2
InChIKeyBAECNCGCPHAYQO-UHFFFAOYSA-P
MW664.45 g/mol
LogP9.23
Rot. Bonds6

About 2-bromo-5-[5-(2-bromo-10H-indolo[3,2-b]quinolin-5-ium-5-yl)pentyl]-10H-indolo[3,2-b]quinolin-5-ium

2-bromo-5-[5-(2-bromo-10H-indolo[3,2-b]quinolin-5-ium-5-yl)pentyl]-10H-indolo[3,2-b]quinolin-5-ium (PubChem CID 58985814) has the molecular formula C35H28Br2N4+2 and a molecular weight of 664.45 g/mol. Its IUPAC name is 2-bromo-5-[5-(2-bromo-10H-indolo[3,2-b]quinolin-5-ium-5-yl)pentyl]-10H-indolo[3,2-b]quinolin-5-ium.

Molecular Properties

Compound Name2-bromo-5-[5-(2-bromo-10H-indolo[3,2-b]quinolin-5-ium-5-yl)pentyl]-10H-indolo[3,2-b]quinolin-5-ium
PubChem CID58985814
Molecular FormulaC35H28Br2N4+2
Molecular Weight664.45 g/mol
Exact Mass662.07
IUPAC Name2-bromo-5-[5-(2-bromo-10H-indolo[3,2-b]quinolin-5-ium-5-yl)pentyl]-10H-indolo[3,2-b]quinolin-5-ium
SMILESBrc1ccc2c(c1)cc1[nH]c3ccccc3c1[n+]2CCCCC[n+]1c2ccc(Br)cc2cc2[nH]c3ccccc3c21
InChIInChI=1S/C35H26Br2N4/c36-24-12-14-32-22(18-24)20-30-34(26-8-2-4-10-28(26)38-30)40(32)16-6-1-7-17-41-33-15-13-25(37)19-23(33)21-31-35(41)27-9-3-5-11-29(27)39-31/h2-5,8-15,18-21H,1,6-7,16-17H2/p+2
InChIKeyBAECNCGCPHAYQO-UHFFFAOYSA-P
XLogP9.23
TPSA39.34 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.45
LogP ≤ 59.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[5-(2-bromo-10H-indolo[3,2-b]quinolin-5-ium-5-yl)pentyl]-10H-indolo[3,2-b]quinolin-5-ium?
The IUPAC name of 2-bromo-5-[5-(2-bromo-10H-indolo[3,2-b]quinolin-5-ium-5-yl)pentyl]-10H-indolo[3,2-b]quinolin-5-ium (CID 58985814) is 2-bromo-5-[5-(2-bromo-10H-indolo[3,2-b]quinolin-5-ium-5-yl)pentyl]-10H-indolo[3,2-b]quinolin-5-ium.
What is the SMILES notation for 2-bromo-5-[5-(2-bromo-10H-indolo[3,2-b]quinolin-5-ium-5-yl)pentyl]-10H-indolo[3,2-b]quinolin-5-ium?
The canonical SMILES for 2-bromo-5-[5-(2-bromo-10H-indolo[3,2-b]quinolin-5-ium-5-yl)pentyl]-10H-indolo[3,2-b]quinolin-5-ium is Brc1ccc2c(c1)cc1[nH]c3ccccc3c1[n+]2CCCCC[n+]1c2ccc(Br)cc2cc2[nH]c3ccccc3c21.
What is the InChIKey of 2-bromo-5-[5-(2-bromo-10H-indolo[3,2-b]quinolin-5-ium-5-yl)pentyl]-10H-indolo[3,2-b]quinolin-5-ium?
The InChIKey is BAECNCGCPHAYQO-UHFFFAOYSA-P. The full InChI is InChI=1S/C35H26Br2N4/c36-24-12-14-32-22(18-24)20-30-34(26-8-2-4-10-28(26)38-30)40(32)16-6-1-7-17-41-33-15-13-25(37)19-23(33)21-31-35(41)27-9-3-5-11-29(27)39-31/h2-5,8-15,18-21H,1,6-7,16-17H2/p+2.
What are the key properties of 2-bromo-5-[5-(2-bromo-10H-indolo[3,2-b]quinolin-5-ium-5-yl)pentyl]-10H-indolo[3,2-b]quinolin-5-ium?
2-bromo-5-[5-(2-bromo-10H-indolo[3,2-b]quinolin-5-ium-5-yl)pentyl]-10H-indolo[3,2-b]quinolin-5-ium has a molecular weight of 664.45 g/mol, XLogP of 9.23, 6 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[5-(2-bromo-10H-indolo[3,2-b]quinolin-5-ium-5-yl)pentyl]-10H-indolo[3,2-b]quinolin-5-ium is sourced from PubChem (CID 58985814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).