N-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine

C248H184N8Si4 — CID 161337171

IUPACN-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine
SMILESC[Si]1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)ccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3-4)cc2)cc1
InChIInChI=1S/C72H52N2Si.C62H48N2Si.C60H44N2Si.C54H40N2Si/c1-7-19-53(20-8-1)57-31-39-61(40-32-57)73(62-41-33-58(34-42-62)54-21-9-2-10-22-54)65-47-49-69-70-50-48-66(52-72(70)75(71(69)51-65,67-27-15-5-16-28-67)68-29-17-6-18-30-68)74(63-43-35-59(36-44-63)55-23-11-3-12-24-55)64-45-37-60(38-46-64)56-25-13-4-14-26-56;1-65(2)61-43-51(49-27-37-57(38-28-49)63(53-19-11-5-12-20-53)55-33-23-47(24-34-55)45-15-7-3-8-16-45)31-41-59(61)60-42-32-52(44-62(60)65)50-29-39-58(40-30-50)64(54-21-13-6-14-22-54)56-35-25-48(26-36-56)46-17-9-4-10-18-46;1-7-19-49(20-8-1)61(50-21-9-2-10-22-50)53-37-31-45(32-38-53)47-35-41-57-58-42-36-48(44-60(58)63(59(57)43-47,55-27-15-5-16-28-55)56-29-17-6-18-30-56)46-33-39-54(40-34-46)62(51-23-11-3-12-24-51)52-25-13-4-14-26-52;1-7-19-41(20-8-1)42-31-33-46(34-32-42)56(45-25-13-4-14-26-45)48-36-38-52-51-37-35-47(55(43-21-9-2-10-22-43)44-23-11-3-12-24-44)39-53(51)57(54(52)40-48,49-27-15-5-16-28-49)50-29-17-6-18-30-50/h1-52H;3-44H,1-2H3;1-44H;1-40H
InChIKeyVMEMBLXRSYIEPR-UHFFFAOYSA-N
MW3388.60 g/mol
LogP57.72
Rot. Bonds41

About N-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine

N-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine (PubChem CID 161337171) has the molecular formula C248H184N8Si4 and a molecular weight of 3388.60 g/mol. Its IUPAC name is N-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine.

Molecular Properties

Compound NameN-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine
PubChem CID161337171
Molecular FormulaC248H184N8Si4
Molecular Weight3388.60 g/mol
Exact Mass3385.37
IUPAC NameN-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine
SMILESC[Si]1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)ccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3-4)cc2)cc1
InChIInChI=1S/C72H52N2Si.C62H48N2Si.C60H44N2Si.C54H40N2Si/c1-7-19-53(20-8-1)57-31-39-61(40-32-57)73(62-41-33-58(34-42-62)54-21-9-2-10-22-54)65-47-49-69-70-50-48-66(52-72(70)75(71(69)51-65,67-27-15-5-16-28-67)68-29-17-6-18-30-68)74(63-43-35-59(36-44-63)55-23-11-3-12-24-55)64-45-37-60(38-46-64)56-25-13-4-14-26-56;1-65(2)61-43-51(49-27-37-57(38-28-49)63(53-19-11-5-12-20-53)55-33-23-47(24-34-55)45-15-7-3-8-16-45)31-41-59(61)60-42-32-52(44-62(60)65)50-29-39-58(40-30-50)64(54-21-13-6-14-22-54)56-35-25-48(26-36-56)46-17-9-4-10-18-46;1-7-19-49(20-8-1)61(50-21-9-2-10-22-50)53-37-31-45(32-38-53)47-35-41-57-58-42-36-48(44-60(58)63(59(57)43-47,55-27-15-5-16-28-55)56-29-17-6-18-30-56)46-33-39-54(40-34-46)62(51-23-11-3-12-24-51)52-25-13-4-14-26-52;1-7-19-41(20-8-1)42-31-33-46(34-32-42)56(45-25-13-4-14-26-45)48-36-38-52-51-37-35-47(55(43-21-9-2-10-22-43)44-23-11-3-12-24-44)39-53(51)57(54(52)40-48,49-27-15-5-16-28-49)50-29-17-6-18-30-50/h1-52H;3-44H,1-2H3;1-44H;1-40H
InChIKeyVMEMBLXRSYIEPR-UHFFFAOYSA-N
XLogP57.72
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds41
Heavy Atoms260
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003388.60
LogP ≤ 557.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine with MolForge

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Related Compounds

4-[5,5-dimethyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-dimethyl-7-N-phenyl-3-N,3-N-bis(4-phenylphenyl)-7-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilole-3,7-diamine;3-N,3-N,7-N,7-N,5,5-hexakis-phenylbenzo[b][1]benzosilole-3,7-diamine;3-N,7-N,5,5-tetraphenyl-3-N,7-N-bis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine
CID 157189815
N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 140719464
N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine
CID 166025194
8,8-dimethyl-5-N,14-N-diphenyl-5-N,14-N-bis(4-phenylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
CID 140757142
N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine
CID 162504511
N-[4-[3-(9,9-dimethyl-[1]benzosilolo[2,3-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 140711993
20,20-dimethyl-N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
CID 140757012
N,N-diphenyl-4-[9,9,21,21-tetramethyl-18-[4-(N-phenylanilino)phenyl]-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]aniline
CID 59182712
20,20-dimethyl-17-N,17-N-diphenyl-4-N,4-N-bis(4-phenylphenyl)-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
CID 140757078
20,20-dimethyl-4-N,4-N-diphenyl-17-N,17-N-bis(4-phenylphenyl)-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
CID 140757160
20,20-dimethyl-N,N-bis(4-phenylphenyl)-17-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine
CID 140757004
N-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 156664113

Frequently Asked Questions

What is the IUPAC name of N-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine?
The IUPAC name of N-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine (CID 161337171) is N-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine.
What is the SMILES notation for N-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine?
The canonical SMILES for N-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine is C[Si]1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)ccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3-4)cc2)cc1.
What is the InChIKey of N-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine?
The InChIKey is VMEMBLXRSYIEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52N2Si.C62H48N2Si.C60H44N2Si.C54H40N2Si/c1-7-19-53(20-8-1)57-31-39-61(40-32-57)73(62-41-33-58(34-42-62)54-21-9-2-10-22-54)65-47-49-69-70-50-48-66(52-72(70)75(71(69)51-65,67-27-15-5-16-28-67)68-29-17-6-18-30-68)74(63-43-35-59(36-44-63)55-23-11-3-12-24-55)64-45-37-60(38-46-64)56-25-13-4-14-26-56;1-65(2)61-43-51(49-27-37-57(38-28-49)63(53-19-11-5-12-20-53)55-33-23-47(24-34-55)45-15-7-3-8-16-45)31-41-59(61)60-42-32-52(44-62(60)65)50-29-39-58(40-30-50)64(54-21-13-6-14-22-54)56-35-25-48(26-36-56)46-17-9-4-10-18-46;1-7-19-49(20-8-1)61(50-21-9-2-10-22-50)53-37-31-45(32-38-53)47-35-41-57-58-42-36-48(44-60(58)63(59(57)43-47,55-27-15-5-16-28-55)56-29-17-6-18-30-56)46-33-39-54(40-34-46)62(51-23-11-3-12-24-51)52-25-13-4-14-26-52;1-7-19-41(20-8-1)42-31-33-46(34-32-42)56(45-25-13-4-14-26-45)48-36-38-52-51-37-35-47(55(43-21-9-2-10-22-43)44-23-11-3-12-24-44)39-53(51)57(54(52)40-48,49-27-15-5-16-28-49)50-29-17-6-18-30-50/h1-52H;3-44H,1-2H3;1-44H;1-40H.
What are the key properties of N-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine?
N-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine has a molecular weight of 3388.60 g/mol, XLogP of 57.72, 41 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine is sourced from PubChem (CID 161337171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).