CID 158445752

C434H322N8O4S16Si12 — CID 158445752

IUPAC—
SMILESC[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1cc(-c3ccccc3)sc12.C[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(-c3cccc(N(c4ccccc4)c4ccccc4)c3)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1ccsc12.C[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1ccsc12.C[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1ccsc12.C[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1ccsc12.C[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1ccsc12.c1ccc(N(c2ccccc2)c2cc3c(s2)C2(c4ccccc4-c4ccccc42)c2ccsc2C32c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2cc(-n3c4ccccc4c4ccccc43)sc2C2(c3ccccc3-c3ccccc32)c2ccsc21
InChIInChI=1S/C62H49NS2Si2.4C56H43NOS2Si2.C56H45NS2Si2.C46H27NS2.C46H29NS2/c1-66(2)55-32-18-14-28-47(55)61(48-29-15-19-33-56(48)66)51-40-53(42-22-8-5-9-23-42)64-59(51)62(49-30-16-20-34-57(49)67(3,4)58-35-21-17-31-50(58)62)52-41-54(65-60(52)61)43-36-38-46(39-37-43)63(44-24-10-6-11-25-44)45-26-12-7-13-27-45;1-61(2)47-29-14-9-23-39(47)55(40-24-10-15-30-48(40)61)43-33-34-59-53(43)56(41-25-11-16-31-49(41)62(3,4)50-32-17-12-26-42(50)56)44-35-51(60-54(44)55)57(36-19-6-5-7-20-36)45-27-18-22-38-37-21-8-13-28-46(37)58-52(38)45;1-61(2)47-29-14-9-22-38(47)55(39-23-10-15-30-48(39)61)42-33-34-59-53(42)56(40-24-11-16-31-49(40)62(3,4)50-32-17-12-25-41(50)56)43-35-51(60-54(43)55)57(36-19-6-5-7-20-36)44-26-18-28-46-52(44)37-21-8-13-27-45(37)58-46;1-61(2)48-26-14-9-21-40(48)55(41-22-10-15-27-49(41)61)44-32-33-59-53(44)56(42-23-11-16-28-50(42)62(3,4)51-29-17-12-24-43(51)56)45-35-52(60-54(45)55)57(36-18-6-5-7-19-36)37-30-31-47-39(34-37)38-20-8-13-25-46(38)58-47;1-61(2)48-26-14-9-21-40(48)55(41-22-10-15-27-49(41)61)44-32-33-59-53(44)56(42-23-11-16-28-50(42)62(3,4)51-29-17-12-24-43(51)56)45-35-52(60-54(45)55)57(36-18-6-5-7-19-36)37-30-31-39-38-20-8-13-25-46(38)58-47(39)34-37;1-60(2)49-30-15-11-26-42(49)55(43-27-12-16-31-50(43)60)46-34-35-58-53(46)56(44-28-13-17-32-51(44)61(3,4)52-33-18-14-29-45(52)56)47-37-48(59-54(47)55)38-20-19-25-41(36-38)57(39-21-7-5-8-22-39)40-23-9-6-10-24-40;1-7-19-34-28(13-1)29-14-2-8-20-35(29)45(34)38-25-26-48-43(38)46(36-21-9-3-15-30(36)31-16-4-10-22-37(31)46)39-27-42(49-44(39)45)47-40-23-11-5-17-32(40)33-18-6-12-24-41(33)47;1-3-15-30(16-4-1)47(31-17-5-2-6-18-31)42-29-41-44(49-42)45(36-23-11-7-19-32(36)33-20-8-12-24-37(33)45)40-27-28-48-43(40)46(41)38-25-13-9-21-34(38)35-22-10-14-26-39(35)46/h5-41H,1-4H3;4*5-35H,1-4H3;5-37H,1-4H3;1-27H;1-29H
InChIKeyHDJHJSNPPKAQEC-UHFFFAOYSA-N
MW6563.51 g/mol
LogP100.65
Rot. Bonds25

About CID 158445752

CID 158445752 (PubChem CID 158445752) has the molecular formula C434H322N8O4S16Si12 and a molecular weight of 6563.51 g/mol.

Molecular Properties

Compound NameCID 158445752
PubChem CID158445752
Molecular FormulaC434H322N8O4S16Si12
Molecular Weight6563.51 g/mol
Exact Mass6555.80
IUPAC Name—
SMILESC[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1cc(-c3ccccc3)sc12.C[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(-c3cccc(N(c4ccccc4)c4ccccc4)c3)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1ccsc12.C[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1ccsc12.C[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1ccsc12.C[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1ccsc12.C[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1ccsc12.c1ccc(N(c2ccccc2)c2cc3c(s2)C2(c4ccccc4-c4ccccc42)c2ccsc2C32c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2cc(-n3c4ccccc4c4ccccc43)sc2C2(c3ccccc3-c3ccccc32)c2ccsc21
InChIInChI=1S/C62H49NS2Si2.4C56H43NOS2Si2.C56H45NS2Si2.C46H27NS2.C46H29NS2/c1-66(2)55-32-18-14-28-47(55)61(48-29-15-19-33-56(48)66)51-40-53(42-22-8-5-9-23-42)64-59(51)62(49-30-16-20-34-57(49)67(3,4)58-35-21-17-31-50(58)62)52-41-54(65-60(52)61)43-36-38-46(39-37-43)63(44-24-10-6-11-25-44)45-26-12-7-13-27-45;1-61(2)47-29-14-9-23-39(47)55(40-24-10-15-30-48(40)61)43-33-34-59-53(43)56(41-25-11-16-31-49(41)62(3,4)50-32-17-12-26-42(50)56)44-35-51(60-54(44)55)57(36-19-6-5-7-20-36)45-27-18-22-38-37-21-8-13-28-46(37)58-52(38)45;1-61(2)47-29-14-9-22-38(47)55(39-23-10-15-30-48(39)61)42-33-34-59-53(42)56(40-24-11-16-31-49(40)62(3,4)50-32-17-12-25-41(50)56)43-35-51(60-54(43)55)57(36-19-6-5-7-20-36)44-26-18-28-46-52(44)37-21-8-13-27-45(37)58-46;1-61(2)48-26-14-9-21-40(48)55(41-22-10-15-27-49(41)61)44-32-33-59-53(44)56(42-23-11-16-28-50(42)62(3,4)51-29-17-12-24-43(51)56)45-35-52(60-54(45)55)57(36-18-6-5-7-19-36)37-30-31-47-39(34-37)38-20-8-13-25-46(38)58-47;1-61(2)48-26-14-9-21-40(48)55(41-22-10-15-27-49(41)61)44-32-33-59-53(44)56(42-23-11-16-28-50(42)62(3,4)51-29-17-12-24-43(51)56)45-35-52(60-54(45)55)57(36-18-6-5-7-19-36)37-30-31-39-38-20-8-13-25-46(38)58-47(39)34-37;1-60(2)49-30-15-11-26-42(49)55(43-27-12-16-31-50(43)60)46-34-35-58-53(46)56(44-28-13-17-32-51(44)61(3,4)52-33-18-14-29-45(52)56)47-37-48(59-54(47)55)38-20-19-25-41(36-38)57(39-21-7-5-8-22-39)40-23-9-6-10-24-40;1-7-19-34-28(13-1)29-14-2-8-20-35(29)45(34)38-25-26-48-43(38)46(36-21-9-3-15-30(36)31-16-4-10-22-37(31)46)39-27-42(49-44(39)45)47-40-23-11-5-17-32(40)33-18-6-12-24-41(33)47;1-3-15-30(16-4-1)47(31-17-5-2-6-18-31)42-29-41-44(49-42)45(36-23-11-7-19-32(36)33-20-8-12-24-37(33)45)40-27-28-48-43(40)46(41)38-25-13-9-21-34(38)35-22-10-14-26-39(35)46/h5-41H,1-4H3;4*5-35H,1-4H3;5-37H,1-4H3;1-27H;1-29H
InChIKeyHDJHJSNPPKAQEC-UHFFFAOYSA-N
XLogP100.65
TPSA80.17 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms474
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006563.51
LogP ≤ 5100.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

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Related Compounds

CID 155655459
CID 155655459
N-dibenzofuran-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-phenylcarbazol-3-amine;N-dibenzofuran-2-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-phenylcarbazol-3-amine;N-dibenzofuran-3-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-phenylcarbazol-3-amine;N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N,9-diphenylcarbazol-3-amine
CID 165077516
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 165063563
N-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-N,9-bis(4-phenylphenyl)carbazol-2-amine;N-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-3-yl)-N,9-bis(4-phenylphenyl)carbazol-2-amine;N-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-4-yl)-N,9-bis(4-phenylphenyl)carbazol-2-amine
CID 159482642
CID 155427883
CID 155427883
CID 160655393
CID 160655393
CID 155428080
CID 155428080
N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-2-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine
CID 158892408
CID 155428075
CID 155428075
methane;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 165018255
N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-7,9-diphenylcarbazol-3-amine;N-dibenzofuran-1-yl-7,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine;N-dibenzofuran-1-yl-7,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine;N-dibenzofuran-1-yl-7,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 161122971
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 165081556

Frequently Asked Questions

What is the IUPAC name of CID 158445752?
The IUPAC name of CID 158445752 (CID 158445752) is not available.
What is the SMILES notation for CID 158445752?
The canonical SMILES for CID 158445752 is C[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1cc(-c3ccccc3)sc12.C[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(-c3cccc(N(c4ccccc4)c4ccccc4)c3)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1ccsc12.C[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1ccsc12.C[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1ccsc12.C[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1ccsc12.C[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1ccsc12.c1ccc(N(c2ccccc2)c2cc3c(s2)C2(c4ccccc4-c4ccccc42)c2ccsc2C32c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2cc(-n3c4ccccc4c4ccccc43)sc2C2(c3ccccc3-c3ccccc32)c2ccsc21.
What is the InChIKey of CID 158445752?
The InChIKey is HDJHJSNPPKAQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H49NS2Si2.4C56H43NOS2Si2.C56H45NS2Si2.C46H27NS2.C46H29NS2/c1-66(2)55-32-18-14-28-47(55)61(48-29-15-19-33-56(48)66)51-40-53(42-22-8-5-9-23-42)64-59(51)62(49-30-16-20-34-57(49)67(3,4)58-35-21-17-31-50(58)62)52-41-54(65-60(52)61)43-36-38-46(39-37-43)63(44-24-10-6-11-25-44)45-26-12-7-13-27-45;1-61(2)47-29-14-9-23-39(47)55(40-24-10-15-30-48(40)61)43-33-34-59-53(43)56(41-25-11-16-31-49(41)62(3,4)50-32-17-12-26-42(50)56)44-35-51(60-54(44)55)57(36-19-6-5-7-20-36)45-27-18-22-38-37-21-8-13-28-46(37)58-52(38)45;1-61(2)47-29-14-9-22-38(47)55(39-23-10-15-30-48(39)61)42-33-34-59-53(42)56(40-24-11-16-31-49(40)62(3,4)50-32-17-12-25-41(50)56)43-35-51(60-54(43)55)57(36-19-6-5-7-20-36)44-26-18-28-46-52(44)37-21-8-13-27-45(37)58-46;1-61(2)48-26-14-9-21-40(48)55(41-22-10-15-27-49(41)61)44-32-33-59-53(44)56(42-23-11-16-28-50(42)62(3,4)51-29-17-12-24-43(51)56)45-35-52(60-54(45)55)57(36-18-6-5-7-19-36)37-30-31-47-39(34-37)38-20-8-13-25-46(38)58-47;1-61(2)48-26-14-9-21-40(48)55(41-22-10-15-27-49(41)61)44-32-33-59-53(44)56(42-23-11-16-28-50(42)62(3,4)51-29-17-12-24-43(51)56)45-35-52(60-54(45)55)57(36-18-6-5-7-19-36)37-30-31-39-38-20-8-13-25-46(38)58-47(39)34-37;1-60(2)49-30-15-11-26-42(49)55(43-27-12-16-31-50(43)60)46-34-35-58-53(46)56(44-28-13-17-32-51(44)61(3,4)52-33-18-14-29-45(52)56)47-37-48(59-54(47)55)38-20-19-25-41(36-38)57(39-21-7-5-8-22-39)40-23-9-6-10-24-40;1-7-19-34-28(13-1)29-14-2-8-20-35(29)45(34)38-25-26-48-43(38)46(36-21-9-3-15-30(36)31-16-4-10-22-37(31)46)39-27-42(49-44(39)45)47-40-23-11-5-17-32(40)33-18-6-12-24-41(33)47;1-3-15-30(16-4-1)47(31-17-5-2-6-18-31)42-29-41-44(49-42)45(36-23-11-7-19-32(36)33-20-8-12-24-37(33)45)40-27-28-48-43(40)46(41)38-25-13-9-21-34(38)35-22-10-14-26-39(35)46/h5-41H,1-4H3;4*5-35H,1-4H3;5-37H,1-4H3;1-27H;1-29H.
What are the key properties of CID 158445752?
CID 158445752 has a molecular weight of 6563.51 g/mol, XLogP of 100.65, 25 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158445752 is sourced from PubChem (CID 158445752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).