azane;2-bromo-6-phenylnaphthalene;2-chloro-4-naphtho[1,2-b][1]benzofuran-3-ylquinazoline;deuterio(fluoro)methane;2,6-dibromonaphthalene;methane;4-naphtho[1,2-b][1]benzofuran-3-yl-2-(6-phenylnaphthalen-2-yl)quinazoline;phenylboronic acid;phosphane;4,4,5,5-tetramethyl-2-(6-phenylnaphthalen-2-yl)-1,3,2-dioxaborolane

C120H97B2Br3ClFN5O6P — CID 159037036

IUPACazane;2-bromo-6-phenylnaphthalene;2-chloro-4-naphtho[1,2-b][1]benzofuran-3-ylquinazoline;deuterio(fluoro)methane;2,6-dibromonaphthalene;methane;4-naphtho[1,2-b][1]benzofuran-3-yl-2-(6-phenylnaphthalen-2-yl)quinazoline;phenylboronic acid;phosphane;4,4,5,5-tetramethyl-2-(6-phenylnaphthalen-2-yl)-1,3,2-dioxaborolane
SMILESBrc1ccc2cc(-c3ccccc3)ccc2c1.Brc1ccc2cc(Br)ccc2c1.C.CC1(C)OB(c2ccc3cc(-c4ccccc4)ccc3c2)OC1(C)C.Clc1nc(-c2ccc3c(ccc4c5ccccc5oc34)c2)c2ccccc2n1.N.OB(O)c1ccccc1.P.[2H]CF.c1ccc(-c2ccc3cc(-c4nc(-c5ccc6c(ccc7c8ccccc8oc67)c5)c5ccccc5n4)ccc3c2)cc1
InChIInChI=1S/C40H24N2O.C24H13ClN2O.C22H23BO2.C16H11Br.C10H6Br2.C6H7BO2.CH3F.CH4.H3N.H3P/c1-2-8-25(9-3-1)26-14-15-28-23-31(17-16-27(28)22-26)40-41-36-12-6-4-11-35(36)38(42-40)30-19-20-32-29(24-30)18-21-34-33-10-5-7-13-37(33)43-39(32)34;25-24-26-20-7-3-1-6-19(20)22(27-24)15-10-11-16-14(13-15)9-12-18-17-5-2-4-8-21(17)28-23(16)18;1-21(2)22(3,4)25-23(24-21)20-13-12-18-14-17(10-11-19(18)15-20)16-8-6-5-7-9-16;17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-1-3-5-12;11-9-3-1-7-5-10(12)4-2-8(7)6-9;8-7(9)6-4-2-1-3-5-6;1-2;;;/h1-24H;1-13H;5-15H,1-4H3;1-11H;1-6H;1-5,8-9H;1H3;1H4;2*1H3/i;;;;;;1D;;;
InChIKeyQGDCSCBEBKDYKP-WPEJIVRLSA-N
MW2052.89 g/mol
LogP33.09
Rot. Bonds8

About azane;2-bromo-6-phenylnaphthalene;2-chloro-4-naphtho[1,2-b][1]benzofuran-3-ylquinazoline;deuterio(fluoro)methane;2,6-dibromonaphthalene;methane;4-naphtho[1,2-b][1]benzofuran-3-yl-2-(6-phenylnaphthalen-2-yl)quinazoline;phenylboronic acid;phosphane;4,4,5,5-tetramethyl-2-(6-phenylnaphthalen-2-yl)-1,3,2-dioxaborolane

azane;2-bromo-6-phenylnaphthalene;2-chloro-4-naphtho[1,2-b][1]benzofuran-3-ylquinazoline;deuterio(fluoro)methane;2,6-dibromonaphthalene;methane;4-naphtho[1,2-b][1]benzofuran-3-yl-2-(6-phenylnaphthalen-2-yl)quinazoline;phenylboronic acid;phosphane;4,4,5,5-tetramethyl-2-(6-phenylnaphthalen-2-yl)-1,3,2-dioxaborolane (PubChem CID 159037036) has the molecular formula C120H97B2Br3ClFN5O6P and a molecular weight of 2052.89 g/mol. Its IUPAC name is azane;2-bromo-6-phenylnaphthalene;2-chloro-4-naphtho[1,2-b][1]benzofuran-3-ylquinazoline;deuterio(fluoro)methane;2,6-dibromonaphthalene;methane;4-naphtho[1,2-b][1]benzofuran-3-yl-2-(6-phenylnaphthalen-2-yl)quinazoline;phenylboronic acid;phosphane;4,4,5,5-tetramethyl-2-(6-phenylnaphthalen-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Nameazane;2-bromo-6-phenylnaphthalene;2-chloro-4-naphtho[1,2-b][1]benzofuran-3-ylquinazoline;deuterio(fluoro)methane;2,6-dibromonaphthalene;methane;4-naphtho[1,2-b][1]benzofuran-3-yl-2-(6-phenylnaphthalen-2-yl)quinazoline;phenylboronic acid;phosphane;4,4,5,5-tetramethyl-2-(6-phenylnaphthalen-2-yl)-1,3,2-dioxaborolane
PubChem CID159037036
Molecular FormulaC120H97B2Br3ClFN5O6P
Molecular Weight2052.89 g/mol
Exact Mass2048.46
IUPAC Nameazane;2-bromo-6-phenylnaphthalene;2-chloro-4-naphtho[1,2-b][1]benzofuran-3-ylquinazoline;deuterio(fluoro)methane;2,6-dibromonaphthalene;methane;4-naphtho[1,2-b][1]benzofuran-3-yl-2-(6-phenylnaphthalen-2-yl)quinazoline;phenylboronic acid;phosphane;4,4,5,5-tetramethyl-2-(6-phenylnaphthalen-2-yl)-1,3,2-dioxaborolane
SMILESBrc1ccc2cc(-c3ccccc3)ccc2c1.Brc1ccc2cc(Br)ccc2c1.C.CC1(C)OB(c2ccc3cc(-c4ccccc4)ccc3c2)OC1(C)C.Clc1nc(-c2ccc3c(ccc4c5ccccc5oc34)c2)c2ccccc2n1.N.OB(O)c1ccccc1.P.[2H]CF.c1ccc(-c2ccc3cc(-c4nc(-c5ccc6c(ccc7c8ccccc8oc67)c5)c5ccccc5n4)ccc3c2)cc1
InChIInChI=1S/C40H24N2O.C24H13ClN2O.C22H23BO2.C16H11Br.C10H6Br2.C6H7BO2.CH3F.CH4.H3N.H3P/c1-2-8-25(9-3-1)26-14-15-28-23-31(17-16-27(28)22-26)40-41-36-12-6-4-11-35(36)38(42-40)30-19-20-32-29(24-30)18-21-34-33-10-5-7-13-37(33)43-39(32)34;25-24-26-20-7-3-1-6-19(20)22(27-24)15-10-11-16-14(13-15)9-12-18-17-5-2-4-8-21(17)28-23(16)18;1-21(2)22(3,4)25-23(24-21)20-13-12-18-14-17(10-11-19(18)15-20)16-8-6-5-7-9-16;17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-1-3-5-12;11-9-3-1-7-5-10(12)4-2-8(7)6-9;8-7(9)6-4-2-1-3-5-6;1-2;;;/h1-24H;1-13H;5-15H,1-4H3;1-11H;1-6H;1-5,8-9H;1H3;1H4;2*1H3/i;;;;;;1D;;;
InChIKeyQGDCSCBEBKDYKP-WPEJIVRLSA-N
XLogP33.09
TPSA171.76 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002052.89
LogP ≤ 533.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze azane;2-bromo-6-phenylnaphthalene;2-chloro-4-naphtho[1,2-b][1]benzofuran-3-ylquinazoline;deuterio(fluoro)methane;2,6-dibromonaphthalene;methane;4-naphtho[1,2-b][1]benzofuran-3-yl-2-(6-phenylnaphthalen-2-yl)quinazoline;phenylboronic acid;phosphane;4,4,5,5-tetramethyl-2-(6-phenylnaphthalen-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

4-(3-phenanthren-2-ylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline
CID 163926307
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline
CID 155326605
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline;4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-(4-phenylphenyl)quinazoline;4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-phenylquinazoline
CID 158481385
carbanide;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;dibenzofuran-3-ylboronic acid;2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 161245490
2-bromodibenzofuran;2-dibenzofuran-3-yl-4-(8-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 158135500
7-bromo-2,4-dichlorodibenzofuran;2-chloro-4,6-diphenyl-1,3,5-triazine;dibenzofuran-4-ylboronic acid;2-(6,8-dichlorodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[6,8-di(dibenzofuran-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159359562
2-[3-(3-bromophenyl)phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159010808
4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline
CID 155326645
4,4,5,5-tetramethyl-2-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-1,3,2-dioxaborolane
CID 177271256
2-chloro-4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 160516582
2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline
CID 140796956
2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane
CID 162009781

Frequently Asked Questions

What is the IUPAC name of azane;2-bromo-6-phenylnaphthalene;2-chloro-4-naphtho[1,2-b][1]benzofuran-3-ylquinazoline;deuterio(fluoro)methane;2,6-dibromonaphthalene;methane;4-naphtho[1,2-b][1]benzofuran-3-yl-2-(6-phenylnaphthalen-2-yl)quinazoline;phenylboronic acid;phosphane;4,4,5,5-tetramethyl-2-(6-phenylnaphthalen-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of azane;2-bromo-6-phenylnaphthalene;2-chloro-4-naphtho[1,2-b][1]benzofuran-3-ylquinazoline;deuterio(fluoro)methane;2,6-dibromonaphthalene;methane;4-naphtho[1,2-b][1]benzofuran-3-yl-2-(6-phenylnaphthalen-2-yl)quinazoline;phenylboronic acid;phosphane;4,4,5,5-tetramethyl-2-(6-phenylnaphthalen-2-yl)-1,3,2-dioxaborolane (CID 159037036) is azane;2-bromo-6-phenylnaphthalene;2-chloro-4-naphtho[1,2-b][1]benzofuran-3-ylquinazoline;deuterio(fluoro)methane;2,6-dibromonaphthalene;methane;4-naphtho[1,2-b][1]benzofuran-3-yl-2-(6-phenylnaphthalen-2-yl)quinazoline;phenylboronic acid;phosphane;4,4,5,5-tetramethyl-2-(6-phenylnaphthalen-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for azane;2-bromo-6-phenylnaphthalene;2-chloro-4-naphtho[1,2-b][1]benzofuran-3-ylquinazoline;deuterio(fluoro)methane;2,6-dibromonaphthalene;methane;4-naphtho[1,2-b][1]benzofuran-3-yl-2-(6-phenylnaphthalen-2-yl)quinazoline;phenylboronic acid;phosphane;4,4,5,5-tetramethyl-2-(6-phenylnaphthalen-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for azane;2-bromo-6-phenylnaphthalene;2-chloro-4-naphtho[1,2-b][1]benzofuran-3-ylquinazoline;deuterio(fluoro)methane;2,6-dibromonaphthalene;methane;4-naphtho[1,2-b][1]benzofuran-3-yl-2-(6-phenylnaphthalen-2-yl)quinazoline;phenylboronic acid;phosphane;4,4,5,5-tetramethyl-2-(6-phenylnaphthalen-2-yl)-1,3,2-dioxaborolane is Brc1ccc2cc(-c3ccccc3)ccc2c1.Brc1ccc2cc(Br)ccc2c1.C.CC1(C)OB(c2ccc3cc(-c4ccccc4)ccc3c2)OC1(C)C.Clc1nc(-c2ccc3c(ccc4c5ccccc5oc34)c2)c2ccccc2n1.N.OB(O)c1ccccc1.P.[2H]CF.c1ccc(-c2ccc3cc(-c4nc(-c5ccc6c(ccc7c8ccccc8oc67)c5)c5ccccc5n4)ccc3c2)cc1.
What is the InChIKey of azane;2-bromo-6-phenylnaphthalene;2-chloro-4-naphtho[1,2-b][1]benzofuran-3-ylquinazoline;deuterio(fluoro)methane;2,6-dibromonaphthalene;methane;4-naphtho[1,2-b][1]benzofuran-3-yl-2-(6-phenylnaphthalen-2-yl)quinazoline;phenylboronic acid;phosphane;4,4,5,5-tetramethyl-2-(6-phenylnaphthalen-2-yl)-1,3,2-dioxaborolane?
The InChIKey is QGDCSCBEBKDYKP-WPEJIVRLSA-N. The full InChI is InChI=1S/C40H24N2O.C24H13ClN2O.C22H23BO2.C16H11Br.C10H6Br2.C6H7BO2.CH3F.CH4.H3N.H3P/c1-2-8-25(9-3-1)26-14-15-28-23-31(17-16-27(28)22-26)40-41-36-12-6-4-11-35(36)38(42-40)30-19-20-32-29(24-30)18-21-34-33-10-5-7-13-37(33)43-39(32)34;25-24-26-20-7-3-1-6-19(20)22(27-24)15-10-11-16-14(13-15)9-12-18-17-5-2-4-8-21(17)28-23(16)18;1-21(2)22(3,4)25-23(24-21)20-13-12-18-14-17(10-11-19(18)15-20)16-8-6-5-7-9-16;17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-1-3-5-12;11-9-3-1-7-5-10(12)4-2-8(7)6-9;8-7(9)6-4-2-1-3-5-6;1-2;;;/h1-24H;1-13H;5-15H,1-4H3;1-11H;1-6H;1-5,8-9H;1H3;1H4;2*1H3/i;;;;;;1D;;;.
What are the key properties of azane;2-bromo-6-phenylnaphthalene;2-chloro-4-naphtho[1,2-b][1]benzofuran-3-ylquinazoline;deuterio(fluoro)methane;2,6-dibromonaphthalene;methane;4-naphtho[1,2-b][1]benzofuran-3-yl-2-(6-phenylnaphthalen-2-yl)quinazoline;phenylboronic acid;phosphane;4,4,5,5-tetramethyl-2-(6-phenylnaphthalen-2-yl)-1,3,2-dioxaborolane?
azane;2-bromo-6-phenylnaphthalene;2-chloro-4-naphtho[1,2-b][1]benzofuran-3-ylquinazoline;deuterio(fluoro)methane;2,6-dibromonaphthalene;methane;4-naphtho[1,2-b][1]benzofuran-3-yl-2-(6-phenylnaphthalen-2-yl)quinazoline;phenylboronic acid;phosphane;4,4,5,5-tetramethyl-2-(6-phenylnaphthalen-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2052.89 g/mol, XLogP of 33.09, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-bromo-6-phenylnaphthalene;2-chloro-4-naphtho[1,2-b][1]benzofuran-3-ylquinazoline;deuterio(fluoro)methane;2,6-dibromonaphthalene;methane;4-naphtho[1,2-b][1]benzofuran-3-yl-2-(6-phenylnaphthalen-2-yl)quinazoline;phenylboronic acid;phosphane;4,4,5,5-tetramethyl-2-(6-phenylnaphthalen-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159037036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).