N-[4-[3-[4-[8-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-2-yl]phenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-1-amine;[8-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane;[8-[4-(3-phenyl-1-adamantyl)phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane

C184H171B3N2O3 — CID 157299163

IUPACN-[4-[3-[4-[8-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-2-yl]phenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-1-amine;[8-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane;[8-[4-(3-phenyl-1-adamantyl)phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2ccc3oc4ccc(-c5ccc(C67CC8CC(C6)CC(c6ccc(-n9c%10ccccc%10c%10ccccc%109)cc6)(C8)C7)cc5)cc4c3c2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(B(c2ccc3oc4ccc(-c5ccc(C67CC8CC(C6)CC(c6ccc(N(c9ccccc9)c9cccc%10ccccc9%10)cc6)(C8)C7)cc5)cc4c3c2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(B(c2ccc3oc4ccc(-c5ccc(C67CC8CC(CC(c9ccccc9)(C8)C6)C7)cc5)cc4c3c2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C68H62BNO.C64H58BNO.C52H51BO/c1-43-31-45(3)65(46(4)32-43)69(66-47(5)33-44(2)34-48(66)6)56-26-30-64-61(37-56)60-36-53(21-29-63(60)71-64)51-19-22-54(23-20-51)67-38-49-35-50(39-67)41-68(40-49,42-67)55-24-27-58(28-25-55)70(57-15-8-7-9-16-57)62-18-12-14-52-13-10-11-17-59(52)62;1-39-27-41(3)61(42(4)28-39)65(62-43(5)29-40(2)30-44(62)6)51-22-26-60-56(33-51)55-32-48(17-25-59(55)67-60)47-15-18-49(19-16-47)63-34-45-31-46(35-63)37-64(36-45,38-63)50-20-23-52(24-21-50)66-57-13-9-7-11-53(57)54-12-8-10-14-58(54)66;1-32-20-34(3)49(35(4)21-32)53(50-36(5)22-33(2)23-37(50)6)44-17-19-48-46(26-44)45-25-41(14-18-47(45)54-48)40-12-15-43(16-13-40)52-29-38-24-39(30-52)28-51(27-38,31-52)42-10-8-7-9-11-42/h7-34,36-37,49-50H,35,38-42H2,1-6H3;7-30,32-33,45-46H,31,34-38H2,1-6H3;7-23,25-26,38-39H,24,27-31H2,1-6H3
InChIKeyBBRQCVRINJJHSG-UHFFFAOYSA-N
MW2490.84 g/mol
LogP41.95
Rot. Bonds22

About N-[4-[3-[4-[8-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-2-yl]phenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-1-amine;[8-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane;[8-[4-(3-phenyl-1-adamantyl)phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane

N-[4-[3-[4-[8-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-2-yl]phenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-1-amine;[8-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane;[8-[4-(3-phenyl-1-adamantyl)phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane (PubChem CID 157299163) has the molecular formula C184H171B3N2O3 and a molecular weight of 2490.84 g/mol. Its IUPAC name is N-[4-[3-[4-[8-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-2-yl]phenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-1-amine;[8-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane;[8-[4-(3-phenyl-1-adamantyl)phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane.

Molecular Properties

Compound NameN-[4-[3-[4-[8-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-2-yl]phenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-1-amine;[8-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane;[8-[4-(3-phenyl-1-adamantyl)phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane
PubChem CID157299163
Molecular FormulaC184H171B3N2O3
Molecular Weight2490.84 g/mol
Exact Mass2489.36
IUPAC NameN-[4-[3-[4-[8-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-2-yl]phenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-1-amine;[8-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane;[8-[4-(3-phenyl-1-adamantyl)phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2ccc3oc4ccc(-c5ccc(C67CC8CC(C6)CC(c6ccc(-n9c%10ccccc%10c%10ccccc%109)cc6)(C8)C7)cc5)cc4c3c2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(B(c2ccc3oc4ccc(-c5ccc(C67CC8CC(C6)CC(c6ccc(N(c9ccccc9)c9cccc%10ccccc9%10)cc6)(C8)C7)cc5)cc4c3c2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(B(c2ccc3oc4ccc(-c5ccc(C67CC8CC(CC(c9ccccc9)(C8)C6)C7)cc5)cc4c3c2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C68H62BNO.C64H58BNO.C52H51BO/c1-43-31-45(3)65(46(4)32-43)69(66-47(5)33-44(2)34-48(66)6)56-26-30-64-61(37-56)60-36-53(21-29-63(60)71-64)51-19-22-54(23-20-51)67-38-49-35-50(39-67)41-68(40-49,42-67)55-24-27-58(28-25-55)70(57-15-8-7-9-16-57)62-18-12-14-52-13-10-11-17-59(52)62;1-39-27-41(3)61(42(4)28-39)65(62-43(5)29-40(2)30-44(62)6)51-22-26-60-56(33-51)55-32-48(17-25-59(55)67-60)47-15-18-49(19-16-47)63-34-45-31-46(35-63)37-64(36-45,38-63)50-20-23-52(24-21-50)66-57-13-9-7-11-53(57)54-12-8-10-14-58(54)66;1-32-20-34(3)49(35(4)21-32)53(50-36(5)22-33(2)23-37(50)6)44-17-19-48-46(26-44)45-25-41(14-18-47(45)54-48)40-12-15-43(16-13-40)52-29-38-24-39(30-52)28-51(27-38,31-52)42-10-8-7-9-11-42/h7-34,36-37,49-50H,35,38-42H2,1-6H3;7-30,32-33,45-46H,31,34-38H2,1-6H3;7-23,25-26,38-39H,24,27-31H2,1-6H3
InChIKeyBBRQCVRINJJHSG-UHFFFAOYSA-N
XLogP41.95
TPSA47.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms192
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002490.84
LogP ≤ 541.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[3-[4-[8-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-2-yl]phenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-1-amine;[8-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane;[8-[4-(3-phenyl-1-adamantyl)phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane with MolForge

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Related Compounds

[6-[4-[3-(4-diphenylphosphorylphenyl)-1-adamantyl]phenyl]-9-phenylcarbazol-3-yl]-bis(2,4,6-trimethylphenyl)borane
CID 140705244
N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]naphthalen-1-amine;N-[4-[4-[N-naphthalen-1-yl-4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenyl-N-[4-[3,5,7-tris[4-(N-naphthalen-1-ylanilino)phenyl]-1-adamantyl]phenyl]naphthalen-1-amine
CID 158382722
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine
CID 58510838
N-[4-[3-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-2-amine
CID 140705308
N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-methylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 157318792
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine;7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158302767
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 130438409
[3-[6-[4-[3-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-1-adamantyl]phenyl]-2-pyridinyl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 140705324
N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 118462718

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-[8-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-2-yl]phenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-1-amine;[8-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane;[8-[4-(3-phenyl-1-adamantyl)phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane?
The IUPAC name of N-[4-[3-[4-[8-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-2-yl]phenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-1-amine;[8-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane;[8-[4-(3-phenyl-1-adamantyl)phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane (CID 157299163) is N-[4-[3-[4-[8-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-2-yl]phenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-1-amine;[8-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane;[8-[4-(3-phenyl-1-adamantyl)phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane.
What is the SMILES notation for N-[4-[3-[4-[8-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-2-yl]phenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-1-amine;[8-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane;[8-[4-(3-phenyl-1-adamantyl)phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane?
The canonical SMILES for N-[4-[3-[4-[8-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-2-yl]phenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-1-amine;[8-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane;[8-[4-(3-phenyl-1-adamantyl)phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane is Cc1cc(C)c(B(c2ccc3oc4ccc(-c5ccc(C67CC8CC(C6)CC(c6ccc(-n9c%10ccccc%10c%10ccccc%109)cc6)(C8)C7)cc5)cc4c3c2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(B(c2ccc3oc4ccc(-c5ccc(C67CC8CC(C6)CC(c6ccc(N(c9ccccc9)c9cccc%10ccccc9%10)cc6)(C8)C7)cc5)cc4c3c2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(B(c2ccc3oc4ccc(-c5ccc(C67CC8CC(CC(c9ccccc9)(C8)C6)C7)cc5)cc4c3c2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N-[4-[3-[4-[8-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-2-yl]phenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-1-amine;[8-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane;[8-[4-(3-phenyl-1-adamantyl)phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane?
The InChIKey is BBRQCVRINJJHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H62BNO.C64H58BNO.C52H51BO/c1-43-31-45(3)65(46(4)32-43)69(66-47(5)33-44(2)34-48(66)6)56-26-30-64-61(37-56)60-36-53(21-29-63(60)71-64)51-19-22-54(23-20-51)67-38-49-35-50(39-67)41-68(40-49,42-67)55-24-27-58(28-25-55)70(57-15-8-7-9-16-57)62-18-12-14-52-13-10-11-17-59(52)62;1-39-27-41(3)61(42(4)28-39)65(62-43(5)29-40(2)30-44(62)6)51-22-26-60-56(33-51)55-32-48(17-25-59(55)67-60)47-15-18-49(19-16-47)63-34-45-31-46(35-63)37-64(36-45,38-63)50-20-23-52(24-21-50)66-57-13-9-7-11-53(57)54-12-8-10-14-58(54)66;1-32-20-34(3)49(35(4)21-32)53(50-36(5)22-33(2)23-37(50)6)44-17-19-48-46(26-44)45-25-41(14-18-47(45)54-48)40-12-15-43(16-13-40)52-29-38-24-39(30-52)28-51(27-38,31-52)42-10-8-7-9-11-42/h7-34,36-37,49-50H,35,38-42H2,1-6H3;7-30,32-33,45-46H,31,34-38H2,1-6H3;7-23,25-26,38-39H,24,27-31H2,1-6H3.
What are the key properties of N-[4-[3-[4-[8-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-2-yl]phenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-1-amine;[8-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane;[8-[4-(3-phenyl-1-adamantyl)phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane?
N-[4-[3-[4-[8-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-2-yl]phenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-1-amine;[8-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane;[8-[4-(3-phenyl-1-adamantyl)phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane has a molecular weight of 2490.84 g/mol, XLogP of 41.95, 22 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-[8-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-2-yl]phenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-1-amine;[8-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane;[8-[4-(3-phenyl-1-adamantyl)phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane is sourced from PubChem (CID 157299163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).