3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;6,10-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;(2-phenylphenyl)boronic acid

C111H87B2Cl3N4O5 — CID 161054169

IUPAC3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;6,10-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;(2-phenylphenyl)boronic acid
SMILESCC1(C)OB(c2ccc3c(c2)nc(-c2ccccc2)c2cccc(-c4ccccc4)c23)OC1(C)C.Clc1ccc2c(c1)nc(-c1ccccc1)c1cccc(-c3ccccc3)c12.Nc1cc(Cl)ccc1-c1ccccc1-c1ccccc1.O=C(Nc1cc(Cl)ccc1-c1ccccc1-c1ccccc1)c1ccccc1.OB(O)c1ccccc1-c1ccccc1
InChIInChI=1S/C31H28BNO2.C25H18ClNO.C25H16ClN.C18H14ClN.C12H11BO2/c1-30(2)31(3,4)35-32(34-30)23-18-19-25-27(20-23)33-29(22-14-9-6-10-15-22)26-17-11-16-24(28(25)26)21-12-7-5-8-13-21;26-20-15-16-23(24(17-20)27-25(28)19-11-5-2-6-12-19)22-14-8-7-13-21(22)18-9-3-1-4-10-18;26-19-14-15-21-23(16-19)27-25(18-10-5-2-6-11-18)22-13-7-12-20(24(21)22)17-8-3-1-4-9-17;19-14-10-11-17(18(20)12-14)16-9-5-4-8-15(16)13-6-2-1-3-7-13;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h5-20H,1-4H3;1-17H,(H,27,28);1-16H;1-12H,20H2;1-9,14-15H
InChIKeyUCNGZJDUHIKVIM-UHFFFAOYSA-N
MW1684.92 g/mol
LogP27.61
Rot. Bonds13

About 3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;6,10-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;(2-phenylphenyl)boronic acid

3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;6,10-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;(2-phenylphenyl)boronic acid (PubChem CID 161054169) has the molecular formula C111H87B2Cl3N4O5 and a molecular weight of 1684.92 g/mol. Its IUPAC name is 3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;6,10-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;(2-phenylphenyl)boronic acid.

Molecular Properties

Compound Name3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;6,10-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;(2-phenylphenyl)boronic acid
PubChem CID161054169
Molecular FormulaC111H87B2Cl3N4O5
Molecular Weight1684.92 g/mol
Exact Mass1682.59
IUPAC Name3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;6,10-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;(2-phenylphenyl)boronic acid
SMILESCC1(C)OB(c2ccc3c(c2)nc(-c2ccccc2)c2cccc(-c4ccccc4)c23)OC1(C)C.Clc1ccc2c(c1)nc(-c1ccccc1)c1cccc(-c3ccccc3)c12.Nc1cc(Cl)ccc1-c1ccccc1-c1ccccc1.O=C(Nc1cc(Cl)ccc1-c1ccccc1-c1ccccc1)c1ccccc1.OB(O)c1ccccc1-c1ccccc1
InChIInChI=1S/C31H28BNO2.C25H18ClNO.C25H16ClN.C18H14ClN.C12H11BO2/c1-30(2)31(3,4)35-32(34-30)23-18-19-25-27(20-23)33-29(22-14-9-6-10-15-22)26-17-11-16-24(28(25)26)21-12-7-5-8-13-21;26-20-15-16-23(24(17-20)27-25(28)19-11-5-2-6-12-19)22-14-8-7-13-21(22)18-9-3-1-4-10-18;26-19-14-15-21-23(16-19)27-25(18-10-5-2-6-11-18)22-13-7-12-20(24(21)22)17-8-3-1-4-9-17;19-14-10-11-17(18(20)12-14)16-9-5-4-8-15(16)13-6-2-1-3-7-13;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h5-20H,1-4H3;1-17H,(H,27,28);1-16H;1-12H,20H2;1-9,14-15H
InChIKeyUCNGZJDUHIKVIM-UHFFFAOYSA-N
XLogP27.61
TPSA139.82 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001684.92
LogP ≤ 527.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;6,10-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;(2-phenylphenyl)boronic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;6,10-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;(2-phenylphenyl)boronic acid?
The IUPAC name of 3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;6,10-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;(2-phenylphenyl)boronic acid (CID 161054169) is 3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;6,10-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;(2-phenylphenyl)boronic acid.
What is the SMILES notation for 3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;6,10-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;(2-phenylphenyl)boronic acid?
The canonical SMILES for 3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;6,10-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;(2-phenylphenyl)boronic acid is CC1(C)OB(c2ccc3c(c2)nc(-c2ccccc2)c2cccc(-c4ccccc4)c23)OC1(C)C.Clc1ccc2c(c1)nc(-c1ccccc1)c1cccc(-c3ccccc3)c12.Nc1cc(Cl)ccc1-c1ccccc1-c1ccccc1.O=C(Nc1cc(Cl)ccc1-c1ccccc1-c1ccccc1)c1ccccc1.OB(O)c1ccccc1-c1ccccc1.
What is the InChIKey of 3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;6,10-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;(2-phenylphenyl)boronic acid?
The InChIKey is UCNGZJDUHIKVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28BNO2.C25H18ClNO.C25H16ClN.C18H14ClN.C12H11BO2/c1-30(2)31(3,4)35-32(34-30)23-18-19-25-27(20-23)33-29(22-14-9-6-10-15-22)26-17-11-16-24(28(25)26)21-12-7-5-8-13-21;26-20-15-16-23(24(17-20)27-25(28)19-11-5-2-6-12-19)22-14-8-7-13-21(22)18-9-3-1-4-10-18;26-19-14-15-21-23(16-19)27-25(18-10-5-2-6-11-18)22-13-7-12-20(24(21)22)17-8-3-1-4-9-17;19-14-10-11-17(18(20)12-14)16-9-5-4-8-15(16)13-6-2-1-3-7-13;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h5-20H,1-4H3;1-17H,(H,27,28);1-16H;1-12H,20H2;1-9,14-15H.
What are the key properties of 3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;6,10-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;(2-phenylphenyl)boronic acid?
3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;6,10-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;(2-phenylphenyl)boronic acid has a molecular weight of 1684.92 g/mol, XLogP of 27.61, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6,10-diphenylphenanthridine;5-chloro-2-(2-phenylphenyl)aniline;N-[5-chloro-2-(2-phenylphenyl)phenyl]benzamide;6,10-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;(2-phenylphenyl)boronic acid is sourced from PubChem (CID 161054169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).