2-bromo-6-diphenylphosphorylnaphthalene;9-(6-diphenylphosphorylnaphthalen-2-yl)-10-naphthalen-1-ylanthracene;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane

C98H74BBrO4P2 — CID 160848216

IUPAC2-bromo-6-diphenylphosphorylnaphthalene;9-(6-diphenylphosphorylnaphthalen-2-yl)-10-naphthalen-1-ylanthracene;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)OC1(C)C.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C46H31OP.C30H27BO2.C22H16BrOP/c47-48(36-16-3-1-4-17-36,37-18-5-2-6-19-37)38-29-28-33-30-35(27-26-34(33)31-38)45-41-21-9-11-23-43(41)46(44-24-12-10-22-42(44)45)40-25-13-15-32-14-7-8-20-39(32)40;1-29(2)30(3,4)33-31(32-29)28-25-17-9-7-15-23(25)27(24-16-8-10-18-26(24)28)22-19-11-13-20-12-5-6-14-21(20)22;23-19-13-11-18-16-22(14-12-17(18)15-19)25(24,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-31H;5-19H,1-4H3;1-16H
InChIKeySIXOEMFNEMJIMY-UHFFFAOYSA-N
MW1468.33 g/mol
LogP23.63
Rot. Bonds10

About 2-bromo-6-diphenylphosphorylnaphthalene;9-(6-diphenylphosphorylnaphthalen-2-yl)-10-naphthalen-1-ylanthracene;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane

2-bromo-6-diphenylphosphorylnaphthalene;9-(6-diphenylphosphorylnaphthalen-2-yl)-10-naphthalen-1-ylanthracene;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane (PubChem CID 160848216) has the molecular formula C98H74BBrO4P2 and a molecular weight of 1468.33 g/mol. Its IUPAC name is 2-bromo-6-diphenylphosphorylnaphthalene;9-(6-diphenylphosphorylnaphthalen-2-yl)-10-naphthalen-1-ylanthracene;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-bromo-6-diphenylphosphorylnaphthalene;9-(6-diphenylphosphorylnaphthalen-2-yl)-10-naphthalen-1-ylanthracene;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane
PubChem CID160848216
Molecular FormulaC98H74BBrO4P2
Molecular Weight1468.33 g/mol
Exact Mass1466.43
IUPAC Name2-bromo-6-diphenylphosphorylnaphthalene;9-(6-diphenylphosphorylnaphthalen-2-yl)-10-naphthalen-1-ylanthracene;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)OC1(C)C.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C46H31OP.C30H27BO2.C22H16BrOP/c47-48(36-16-3-1-4-17-36,37-18-5-2-6-19-37)38-29-28-33-30-35(27-26-34(33)31-38)45-41-21-9-11-23-43(41)46(44-24-12-10-22-42(44)45)40-25-13-15-32-14-7-8-20-39(32)40;1-29(2)30(3,4)33-31(32-29)28-25-17-9-7-15-23(25)27(24-16-8-10-18-26(24)28)22-19-11-13-20-12-5-6-14-21(20)22;23-19-13-11-18-16-22(14-12-17(18)15-19)25(24,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-31H;5-19H,1-4H3;1-16H
InChIKeySIXOEMFNEMJIMY-UHFFFAOYSA-N
XLogP23.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001468.33
LogP ≤ 523.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-bromo-6-diphenylphosphorylnaphthalene;14-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;14-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 159322571
N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromo-6-naphthalen-1-ylnaphthalene;N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157345966
(10-naphthalen-1-ylanthracen-9-yl)boronic acid;4,4,5,5-tetramethyl-2-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1,3,2-dioxaborolane
CID 158492046
9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene
CID 146539115
4,4,5,5-tetramethyl-2-[5-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,2-dioxaborolane
CID 59523750
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
19-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;19-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
CID 159714369
9-[4-[3-[3,4-bis(2,3-diethynylphenyl)phenyl]phenyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene;2-[3,4-bis(2,3-diethynylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9-[4-(3-bromophenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene
CID 159982680
9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
CID 140855946
4,4,5,5-tetramethyl-2-[10-(2-phenylphenyl)anthracen-9-yl]-1,3,2-dioxaborolane
CID 154726226
4,4,5,5-tetramethyl-2-[3-[3-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-1,3,2-dioxaborolane
CID 174246089

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-diphenylphosphorylnaphthalene;9-(6-diphenylphosphorylnaphthalen-2-yl)-10-naphthalen-1-ylanthracene;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane?
The IUPAC name of 2-bromo-6-diphenylphosphorylnaphthalene;9-(6-diphenylphosphorylnaphthalen-2-yl)-10-naphthalen-1-ylanthracene;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane (CID 160848216) is 2-bromo-6-diphenylphosphorylnaphthalene;9-(6-diphenylphosphorylnaphthalen-2-yl)-10-naphthalen-1-ylanthracene;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 2-bromo-6-diphenylphosphorylnaphthalene;9-(6-diphenylphosphorylnaphthalen-2-yl)-10-naphthalen-1-ylanthracene;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 2-bromo-6-diphenylphosphorylnaphthalene;9-(6-diphenylphosphorylnaphthalen-2-yl)-10-naphthalen-1-ylanthracene;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane is CC1(C)OB(c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)OC1(C)C.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-bromo-6-diphenylphosphorylnaphthalene;9-(6-diphenylphosphorylnaphthalen-2-yl)-10-naphthalen-1-ylanthracene;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane?
The InChIKey is SIXOEMFNEMJIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31OP.C30H27BO2.C22H16BrOP/c47-48(36-16-3-1-4-17-36,37-18-5-2-6-19-37)38-29-28-33-30-35(27-26-34(33)31-38)45-41-21-9-11-23-43(41)46(44-24-12-10-22-42(44)45)40-25-13-15-32-14-7-8-20-39(32)40;1-29(2)30(3,4)33-31(32-29)28-25-17-9-7-15-23(25)27(24-16-8-10-18-26(24)28)22-19-11-13-20-12-5-6-14-21(20)22;23-19-13-11-18-16-22(14-12-17(18)15-19)25(24,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-31H;5-19H,1-4H3;1-16H.
What are the key properties of 2-bromo-6-diphenylphosphorylnaphthalene;9-(6-diphenylphosphorylnaphthalen-2-yl)-10-naphthalen-1-ylanthracene;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane?
2-bromo-6-diphenylphosphorylnaphthalene;9-(6-diphenylphosphorylnaphthalen-2-yl)-10-naphthalen-1-ylanthracene;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane has a molecular weight of 1468.33 g/mol, XLogP of 23.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-diphenylphosphorylnaphthalene;9-(6-diphenylphosphorylnaphthalen-2-yl)-10-naphthalen-1-ylanthracene;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 160848216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).