2-[4-(9H-acridin-10-yl)-2-isocyanophenyl]-5-phenoxazin-10-ylbenzonitrile;2-(2-amino-4-bromophenyl)-5-bromoaniline;5-bromo-2-(4-bromo-2-isocyanophenyl)aniline;chloro-λ2-stannane;copper(1+);1,4-dibromo-2-nitrobenzene;methane;9H-xanthene;cyanide

C85H60Br6ClCuN10O4Sn — CID 158291471

About 2-[4-(9H-acridin-10-yl)-2-isocyanophenyl]-5-phenoxazin-10-ylbenzonitrile;2-(2-amino-4-bromophenyl)-5-bromoaniline;5-bromo-2-(4-bromo-2-isocyanophenyl)aniline;chloro-λ2-stannane;copper(1+);1,4-dibromo-2-nitrobenzene;methane;9H-xanthene;cyanide

2-[4-(9H-acridin-10-yl)-2-isocyanophenyl]-5-phenoxazin-10-ylbenzonitrile;2-(2-amino-4-bromophenyl)-5-bromoaniline;5-bromo-2-(4-bromo-2-isocyanophenyl)aniline;chloro-λ2-stannane;copper(1+);1,4-dibromo-2-nitrobenzene;methane;9H-xanthene;cyanide (PubChem CID 158291471) has the molecular formula C85H60Br6ClCuN10O4Sn and a molecular weight of 1982.61 g/mol. Its IUPAC name is 2-[4-(9H-acridin-10-yl)-2-isocyanophenyl]-5-phenoxazin-10-ylbenzonitrile;2-(2-amino-4-bromophenyl)-5-bromoaniline;5-bromo-2-(4-bromo-2-isocyanophenyl)aniline;chloro-λ2-stannane;copper(1+);1,4-dibromo-2-nitrobenzene;methane;9H-xanthene;cyanide.

Molecular Properties

• Compound Name: 2-[4-(9H-acridin-10-yl)-2-isocyanophenyl]-5-phenoxazin-10-ylbenzonitrile;2-(2-amino-4-bromophenyl)-5-bromoaniline;5-bromo-2-(4-bromo-2-isocyanophenyl)aniline;chloro-λ2-stannane;copper(1+);1,4-dibromo-2-nitrobenzene;methane;9H-xanthene;cyanide
• PubChem CID: 158291471
• Molecular Formula: C85H60Br6ClCuN10O4Sn
• Molecular Weight: 1982.61 g/mol
• Exact Mass: 1975.79
• IUPAC Name: 2-[4-(9H-acridin-10-yl)-2-isocyanophenyl]-5-phenoxazin-10-ylbenzonitrile;2-(2-amino-4-bromophenyl)-5-bromoaniline;5-bromo-2-(4-bromo-2-isocyanophenyl)aniline;chloro-λ2-stannane;copper(1+);1,4-dibromo-2-nitrobenzene;methane;9H-xanthene;cyanide
• SMILES: C.Cl[SnH].Nc1cc(Br)ccc1-c1ccc(Br)cc1N.O=[N+]([O-])c1cc(Br)ccc1Br.[C-]#N.[C-]#[N+]c1cc(Br)ccc1-c1ccc(Br)cc1N.[C-]#[N+]c1cc(N2c3ccccc3Cc3ccccc32)ccc1-c1ccc(N2c3ccccc3Oc3ccccc32)cc1C#N.[Cu+].c1ccc2c(c1)Cc1ccccc1O2
• InChI: InChI=1S/C39H24N4O.C13H8Br2N2.C13H10O.C12H10Br2N2.C6H3Br2NO2.CN.CH4.ClH.Cu.Sn.H/c1-41-33-24-30(42-34-12-4-2-10-26(34)22-27-11-3-5-13-35(27)42)19-21-32(33)31-20-18-29(23-28(31)25-40)43-36-14-6-8-16-38(36)44-39-17-9-7-15-37(39)43;1-17-13-7-9(15)3-5-11(13)10-4-2-8(14)6-12(10)16;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16;7-4-1-2-5(8)6(3-4)9(10)11;1-2;;;;;/h2-21,23-24H,22H2;2-7H,16H2;1-8H,9H2;1-6H,15-16H2;1-3H;;1H4;1H;;;/q;;;;;-1;;;2*+1;/p-1
• InChIKey: NBRAINWOCUPXAD-UHFFFAOYSA-M
• XLogP: 27.05
• TPSA: 202.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1982.61
LogP ≤ 5	27.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9H-acridin-10-yl)-2-isocyanophenyl]-5-phenoxazin-10-ylbenzonitrile;2-(2-amino-4-bromophenyl)-5-bromoaniline;5-bromo-2-(4-bromo-2-isocyanophenyl)aniline;chloro-λ2-stannane;copper(1+);1,4-dibromo-2-nitrobenzene;methane;9H-xanthene;cyanide?

The IUPAC name of 2-[4-(9H-acridin-10-yl)-2-isocyanophenyl]-5-phenoxazin-10-ylbenzonitrile;2-(2-amino-4-bromophenyl)-5-bromoaniline;5-bromo-2-(4-bromo-2-isocyanophenyl)aniline;chloro-λ2-stannane;copper(1+);1,4-dibromo-2-nitrobenzene;methane;9H-xanthene;cyanide (CID 158291471) is 2-[4-(9H-acridin-10-yl)-2-isocyanophenyl]-5-phenoxazin-10-ylbenzonitrile;2-(2-amino-4-bromophenyl)-5-bromoaniline;5-bromo-2-(4-bromo-2-isocyanophenyl)aniline;chloro-λ2-stannane;copper(1+);1,4-dibromo-2-nitrobenzene;methane;9H-xanthene;cyanide.

What is the SMILES notation for 2-[4-(9H-acridin-10-yl)-2-isocyanophenyl]-5-phenoxazin-10-ylbenzonitrile;2-(2-amino-4-bromophenyl)-5-bromoaniline;5-bromo-2-(4-bromo-2-isocyanophenyl)aniline;chloro-λ2-stannane;copper(1+);1,4-dibromo-2-nitrobenzene;methane;9H-xanthene;cyanide?

The canonical SMILES for 2-[4-(9H-acridin-10-yl)-2-isocyanophenyl]-5-phenoxazin-10-ylbenzonitrile;2-(2-amino-4-bromophenyl)-5-bromoaniline;5-bromo-2-(4-bromo-2-isocyanophenyl)aniline;chloro-λ2-stannane;copper(1+);1,4-dibromo-2-nitrobenzene;methane;9H-xanthene;cyanide is C.Cl[SnH].Nc1cc(Br)ccc1-c1ccc(Br)cc1N.O=[N+]([O-])c1cc(Br)ccc1Br.[C-]#N.[C-]#[N+]c1cc(Br)ccc1-c1ccc(Br)cc1N.[C-]#[N+]c1cc(N2c3ccccc3Cc3ccccc32)ccc1-c1ccc(N2c3ccccc3Oc3ccccc32)cc1C#N.[Cu+].c1ccc2c(c1)Cc1ccccc1O2.

What is the InChIKey of 2-[4-(9H-acridin-10-yl)-2-isocyanophenyl]-5-phenoxazin-10-ylbenzonitrile;2-(2-amino-4-bromophenyl)-5-bromoaniline;5-bromo-2-(4-bromo-2-isocyanophenyl)aniline;chloro-λ2-stannane;copper(1+);1,4-dibromo-2-nitrobenzene;methane;9H-xanthene;cyanide?

The InChIKey is NBRAINWOCUPXAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C39H24N4O.C13H8Br2N2.C13H10O.C12H10Br2N2.C6H3Br2NO2.CN.CH4.ClH.Cu.Sn.H/c1-41-33-24-30(42-34-12-4-2-10-26(34)22-27-11-3-5-13-35(27)42)19-21-32(33)31-20-18-29(23-28(31)25-40)43-36-14-6-8-16-38(36)44-39-17-9-7-15-37(39)43;1-17-13-7-9(15)3-5-11(13)10-4-2-8(14)6-12(10)16;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16;7-4-1-2-5(8)6(3-4)9(10)11;1-2;;;;;/h2-21,23-24H,22H2;2-7H,16H2;1-8H,9H2;1-6H,15-16H2;1-3H;;1H4;1H;;;/q;;;;;-1;;;2*+1;/p-1.

What are the key properties of 2-[4-(9H-acridin-10-yl)-2-isocyanophenyl]-5-phenoxazin-10-ylbenzonitrile;2-(2-amino-4-bromophenyl)-5-bromoaniline;5-bromo-2-(4-bromo-2-isocyanophenyl)aniline;chloro-λ2-stannane;copper(1+);1,4-dibromo-2-nitrobenzene;methane;9H-xanthene;cyanide?

2-[4-(9H-acridin-10-yl)-2-isocyanophenyl]-5-phenoxazin-10-ylbenzonitrile;2-(2-amino-4-bromophenyl)-5-bromoaniline;5-bromo-2-(4-bromo-2-isocyanophenyl)aniline;chloro-λ2-stannane;copper(1+);1,4-dibromo-2-nitrobenzene;methane;9H-xanthene;cyanide has a molecular weight of 1982.61 g/mol, XLogP of 27.05, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(9H-acridin-10-yl)-2-isocyanophenyl]-5-phenoxazin-10-ylbenzonitrile;2-(2-amino-4-bromophenyl)-5-bromoaniline;5-bromo-2-(4-bromo-2-isocyanophenyl)aniline;chloro-λ2-stannane;copper(1+);1,4-dibromo-2-nitrobenzene;methane;9H-xanthene;cyanide is sourced from PubChem (CID 158291471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).