5-bromobenzo[c]acridine;5-(6-diphenylphosphorylnaphthalen-2-yl)benzo[c]acridine;diphenyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]phosphane

C84H64BBrN2O3P2 — CID 159128591

IUPAC5-bromobenzo[c]acridine;5-(6-diphenylphosphorylnaphthalen-2-yl)benzo[c]acridine;diphenyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]phosphane
SMILESBrc1cc2cc3ccccc3nc2c2ccccc12.CC1(C)OB(c2ccc3cc(P(c4ccccc4)c4ccccc4)ccc3c2)OC1(C)C.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3cc4cc5ccccc5nc4c4ccccc34)ccc2c1
InChIInChI=1S/C39H26NOP.C28H28BO2P.C17H10BrN/c41-42(32-12-3-1-4-13-32,33-14-5-2-6-15-33)34-22-21-27-23-29(20-19-28(27)25-34)37-26-31-24-30-11-7-10-18-38(30)40-39(31)36-17-9-8-16-35(36)37;1-27(2)28(3,4)31-29(30-27)23-17-15-22-20-26(18-16-21(22)19-23)32(24-11-7-5-8-12-24)25-13-9-6-10-14-25;18-15-10-12-9-11-5-1-4-8-16(11)19-17(12)14-7-3-2-6-13(14)15/h1-26H;5-20H,1-4H3;1-10H
InChIKeyKGPBAZDHJGEJHS-UHFFFAOYSA-N
MW1302.11 g/mol
LogP19.20
Rot. Bonds8

About 5-bromobenzo[c]acridine;5-(6-diphenylphosphorylnaphthalen-2-yl)benzo[c]acridine;diphenyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]phosphane

5-bromobenzo[c]acridine;5-(6-diphenylphosphorylnaphthalen-2-yl)benzo[c]acridine;diphenyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]phosphane (PubChem CID 159128591) has the molecular formula C84H64BBrN2O3P2 and a molecular weight of 1302.11 g/mol. Its IUPAC name is 5-bromobenzo[c]acridine;5-(6-diphenylphosphorylnaphthalen-2-yl)benzo[c]acridine;diphenyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]phosphane.

Molecular Properties

Compound Name5-bromobenzo[c]acridine;5-(6-diphenylphosphorylnaphthalen-2-yl)benzo[c]acridine;diphenyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]phosphane
PubChem CID159128591
Molecular FormulaC84H64BBrN2O3P2
Molecular Weight1302.11 g/mol
Exact Mass1300.37
IUPAC Name5-bromobenzo[c]acridine;5-(6-diphenylphosphorylnaphthalen-2-yl)benzo[c]acridine;diphenyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]phosphane
SMILESBrc1cc2cc3ccccc3nc2c2ccccc12.CC1(C)OB(c2ccc3cc(P(c4ccccc4)c4ccccc4)ccc3c2)OC1(C)C.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3cc4cc5ccccc5nc4c4ccccc34)ccc2c1
InChIInChI=1S/C39H26NOP.C28H28BO2P.C17H10BrN/c41-42(32-12-3-1-4-13-32,33-14-5-2-6-15-33)34-22-21-27-23-29(20-19-28(27)25-34)37-26-31-24-30-11-7-10-18-38(30)40-39(31)36-17-9-8-16-35(36)37;1-27(2)28(3,4)31-29(30-27)23-17-15-22-20-26(18-16-21(22)19-23)32(24-11-7-5-8-12-24)25-13-9-6-10-14-25;18-15-10-12-9-11-5-1-4-8-16(11)19-17(12)14-7-3-2-6-13(14)15/h1-26H;5-20H,1-4H3;1-10H
InChIKeyKGPBAZDHJGEJHS-UHFFFAOYSA-N
XLogP19.20
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001302.11
LogP ≤ 519.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-bromobenzo[c]acridine;5-(6-diphenylphosphorylnaphthalen-2-yl)benzo[c]acridine;diphenyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-Bromo-5-quinolin-2-ylphenyl)-6-phenylbenzo[k]phenanthridine
CID 118332350
6-Phenyl-3-[3-quinolin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[k]phenanthridine
CID 123768360
3-(3-Bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
CID 134596002
13-Phenyl-16-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-12-azapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 140788221
7-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]quinoline
CID 140873409
7,14-Dimethyl-6,13-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolino[4,3-j]phenanthridine
CID 140877006
7,14-Dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine
CID 140877009
12-Bromo-14-quinolin-2-ylphenanthro[9,10-b]quinoline
CID 141398114
2-Bromo-12-quinolin-2-ylbenzo[b]acridine
CID 141398116
12-Bromo-14-(4-phenylphenyl)phenanthro[9,10-b]quinoline
CID 141398118
6-[3-Diphenylphosphoryl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-(2-methylphenyl)-9-(2-phenylphenyl)phenanthridine
CID 145073665
2-[6-Benzo[g]quinolin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzo[g]quinoline
CID 146920567

Frequently Asked Questions

What is the IUPAC name of 5-bromobenzo[c]acridine;5-(6-diphenylphosphorylnaphthalen-2-yl)benzo[c]acridine;diphenyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]phosphane?
The IUPAC name of 5-bromobenzo[c]acridine;5-(6-diphenylphosphorylnaphthalen-2-yl)benzo[c]acridine;diphenyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]phosphane (CID 159128591) is 5-bromobenzo[c]acridine;5-(6-diphenylphosphorylnaphthalen-2-yl)benzo[c]acridine;diphenyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]phosphane.
What is the SMILES notation for 5-bromobenzo[c]acridine;5-(6-diphenylphosphorylnaphthalen-2-yl)benzo[c]acridine;diphenyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]phosphane?
The canonical SMILES for 5-bromobenzo[c]acridine;5-(6-diphenylphosphorylnaphthalen-2-yl)benzo[c]acridine;diphenyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]phosphane is Brc1cc2cc3ccccc3nc2c2ccccc12.CC1(C)OB(c2ccc3cc(P(c4ccccc4)c4ccccc4)ccc3c2)OC1(C)C.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3cc4cc5ccccc5nc4c4ccccc34)ccc2c1.
What is the InChIKey of 5-bromobenzo[c]acridine;5-(6-diphenylphosphorylnaphthalen-2-yl)benzo[c]acridine;diphenyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]phosphane?
The InChIKey is KGPBAZDHJGEJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26NOP.C28H28BO2P.C17H10BrN/c41-42(32-12-3-1-4-13-32,33-14-5-2-6-15-33)34-22-21-27-23-29(20-19-28(27)25-34)37-26-31-24-30-11-7-10-18-38(30)40-39(31)36-17-9-8-16-35(36)37;1-27(2)28(3,4)31-29(30-27)23-17-15-22-20-26(18-16-21(22)19-23)32(24-11-7-5-8-12-24)25-13-9-6-10-14-25;18-15-10-12-9-11-5-1-4-8-16(11)19-17(12)14-7-3-2-6-13(14)15/h1-26H;5-20H,1-4H3;1-10H.
What are the key properties of 5-bromobenzo[c]acridine;5-(6-diphenylphosphorylnaphthalen-2-yl)benzo[c]acridine;diphenyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]phosphane?
5-bromobenzo[c]acridine;5-(6-diphenylphosphorylnaphthalen-2-yl)benzo[c]acridine;diphenyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]phosphane has a molecular weight of 1302.11 g/mol, XLogP of 19.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromobenzo[c]acridine;5-(6-diphenylphosphorylnaphthalen-2-yl)benzo[c]acridine;diphenyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]phosphane is sourced from PubChem (CID 159128591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).