CID 160655393

C423H272N12O20 — CID 160655393

IUPAC—
SMILESC.C.C.c1ccc(-c2ccc(N(c3ccccc3)c3cc4c(o3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)oc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cc4c(o3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)oc3C43c4ccccc4-c4ccccc43)c2)cc1.c1ccc(N(c2cc3c(o2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)oc2C32c3ccccc3-c3ccccc32)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2cc3c(o2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)oc2C32c3ccccc3-c3ccccc32)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2cc3c(o2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)oc2C32c3ccccc3-c3ccccc32)c2cccc3oc4ccccc4c23)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c(o2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)oc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/4C70H42N2O4.2C70H46N2O2.3CH4/c2*1-3-21-43(22-4-1)71(59-37-19-31-51-49-29-11-17-39-61(49)73-65(51)59)63-41-57-67(75-63)70(55-35-15-9-27-47(55)48-28-10-16-36-56(48)70)58-42-64(76-68(58)69(57)53-33-13-7-25-45(53)46-26-8-14-34-54(46)69)72(44-23-5-2-6-24-44)60-38-20-32-52-50-30-12-18-40-62(50)74-66(52)60;1-3-21-43(22-4-1)71(57-35-19-39-61-65(57)49-29-11-17-37-59(49)73-61)63-41-55-67(75-63)70(53-33-15-9-27-47(53)48-28-10-16-34-54(48)70)56-42-64(76-68(56)69(55)51-31-13-7-25-45(51)46-26-8-14-32-52(46)69)72(44-23-5-2-6-24-44)58-36-20-40-62-66(58)50-30-12-18-38-60(50)74-62;1-3-19-43(20-4-1)71(45-35-37-63-53(39-45)51-27-11-17-33-61(51)73-63)65-41-59-67(75-65)70(57-31-15-9-25-49(57)50-26-10-16-32-58(50)70)60-42-66(76-68(60)69(59)55-29-13-7-23-47(55)48-24-8-14-30-56(48)69)72(44-21-5-2-6-22-44)46-36-38-64-54(40-46)52-28-12-18-34-62(52)74-64;1-5-23-47(24-6-1)49-27-21-33-53(43-49)71(51-29-9-3-10-30-51)65-45-63-67(73-65)70(61-41-19-15-37-57(61)58-38-16-20-42-62(58)70)64-46-66(74-68(64)69(63)59-39-17-13-35-55(59)56-36-14-18-40-60(56)69)72(52-31-11-4-12-32-52)54-34-22-28-50(44-54)48-25-7-2-8-26-48;1-5-21-47(22-6-1)49-37-41-53(42-38-49)71(51-25-9-3-10-26-51)65-45-63-67(73-65)70(61-35-19-15-31-57(61)58-32-16-20-36-62(58)70)64-46-66(74-68(64)69(63)59-33-17-13-29-55(59)56-30-14-18-34-60(56)69)72(52-27-11-4-12-28-52)54-43-39-50(40-44-54)48-23-7-2-8-24-48;;;/h4*1-42H;2*1-46H;3*1H4
InChIKeyRKYZIOFQFGMMBA-UHFFFAOYSA-N
MW5842.89 g/mol
LogP112.88
Rot. Bonds40

About CID 160655393

CID 160655393 (PubChem CID 160655393) has the molecular formula C423H272N12O20 and a molecular weight of 5842.89 g/mol.

Molecular Properties

Compound NameCID 160655393
PubChem CID160655393
Molecular FormulaC423H272N12O20
Molecular Weight5842.89 g/mol
Exact Mass5838.06
IUPAC Name—
SMILESC.C.C.c1ccc(-c2ccc(N(c3ccccc3)c3cc4c(o3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)oc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cc4c(o3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)oc3C43c4ccccc4-c4ccccc43)c2)cc1.c1ccc(N(c2cc3c(o2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)oc2C32c3ccccc3-c3ccccc32)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2cc3c(o2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)oc2C32c3ccccc3-c3ccccc32)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2cc3c(o2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)oc2C32c3ccccc3-c3ccccc32)c2cccc3oc4ccccc4c23)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c(o2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)oc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/4C70H42N2O4.2C70H46N2O2.3CH4/c2*1-3-21-43(22-4-1)71(59-37-19-31-51-49-29-11-17-39-61(49)73-65(51)59)63-41-57-67(75-63)70(55-35-15-9-27-47(55)48-28-10-16-36-56(48)70)58-42-64(76-68(58)69(57)53-33-13-7-25-45(53)46-26-8-14-34-54(46)69)72(44-23-5-2-6-24-44)60-38-20-32-52-50-30-12-18-40-62(50)74-66(52)60;1-3-21-43(22-4-1)71(57-35-19-39-61-65(57)49-29-11-17-37-59(49)73-61)63-41-55-67(75-63)70(53-33-15-9-27-47(53)48-28-10-16-34-54(48)70)56-42-64(76-68(56)69(55)51-31-13-7-25-45(51)46-26-8-14-32-52(46)69)72(44-23-5-2-6-24-44)58-36-20-40-62-66(58)50-30-12-18-38-60(50)74-62;1-3-19-43(20-4-1)71(45-35-37-63-53(39-45)51-27-11-17-33-61(51)73-63)65-41-59-67(75-65)70(57-31-15-9-25-49(57)50-26-10-16-32-58(50)70)60-42-66(76-68(60)69(59)55-29-13-7-23-47(55)48-24-8-14-30-56(48)69)72(44-21-5-2-6-22-44)46-36-38-64-54(40-46)52-28-12-18-34-62(52)74-64;1-5-23-47(24-6-1)49-27-21-33-53(43-49)71(51-29-9-3-10-30-51)65-45-63-67(73-65)70(61-41-19-15-37-57(61)58-38-16-20-42-62(58)70)64-46-66(74-68(64)69(63)59-39-17-13-35-55(59)56-36-14-18-40-60(56)69)72(52-31-11-4-12-32-52)54-34-22-28-50(44-54)48-25-7-2-8-26-48;1-5-21-47(22-6-1)49-37-41-53(42-38-49)71(51-25-9-3-10-26-51)65-45-63-67(73-65)70(61-35-19-15-31-57(61)58-32-16-20-36-62(58)70)64-46-66(74-68(64)69(63)59-33-17-13-29-55(59)56-30-14-18-34-60(56)69)72(52-27-11-4-12-28-52)54-43-39-50(40-44-54)48-23-7-2-8-24-48;;;/h4*1-42H;2*1-46H;3*1H4
InChIKeyRKYZIOFQFGMMBA-UHFFFAOYSA-N
XLogP112.88
TPSA301.68 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds40
Heavy Atoms455
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005842.89
LogP ≤ 5112.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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Related Compounds

N,8-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine
CID 139384360
N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717049
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 90277788
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
N-(3-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167176749
N-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 163988419
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)aniline
CID 121424769
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline;N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 159727177
3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381580
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096723
N-(4-phenylphenyl)-N-(2'-phenyl-9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 129259116

Frequently Asked Questions

What is the IUPAC name of CID 160655393?
The IUPAC name of CID 160655393 (CID 160655393) is not available.
What is the SMILES notation for CID 160655393?
The canonical SMILES for CID 160655393 is C.C.C.c1ccc(-c2ccc(N(c3ccccc3)c3cc4c(o3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)oc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cc4c(o3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)oc3C43c4ccccc4-c4ccccc43)c2)cc1.c1ccc(N(c2cc3c(o2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)oc2C32c3ccccc3-c3ccccc32)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2cc3c(o2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)oc2C32c3ccccc3-c3ccccc32)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2cc3c(o2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)oc2C32c3ccccc3-c3ccccc32)c2cccc3oc4ccccc4c23)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c(o2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)oc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of CID 160655393?
The InChIKey is RKYZIOFQFGMMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C70H42N2O4.2C70H46N2O2.3CH4/c2*1-3-21-43(22-4-1)71(59-37-19-31-51-49-29-11-17-39-61(49)73-65(51)59)63-41-57-67(75-63)70(55-35-15-9-27-47(55)48-28-10-16-36-56(48)70)58-42-64(76-68(58)69(57)53-33-13-7-25-45(53)46-26-8-14-34-54(46)69)72(44-23-5-2-6-24-44)60-38-20-32-52-50-30-12-18-40-62(50)74-66(52)60;1-3-21-43(22-4-1)71(57-35-19-39-61-65(57)49-29-11-17-37-59(49)73-61)63-41-55-67(75-63)70(53-33-15-9-27-47(53)48-28-10-16-34-54(48)70)56-42-64(76-68(56)69(55)51-31-13-7-25-45(51)46-26-8-14-32-52(46)69)72(44-23-5-2-6-24-44)58-36-20-40-62-66(58)50-30-12-18-38-60(50)74-62;1-3-19-43(20-4-1)71(45-35-37-63-53(39-45)51-27-11-17-33-61(51)73-63)65-41-59-67(75-65)70(57-31-15-9-25-49(57)50-26-10-16-32-58(50)70)60-42-66(76-68(60)69(59)55-29-13-7-23-47(55)48-24-8-14-30-56(48)69)72(44-21-5-2-6-22-44)46-36-38-64-54(40-46)52-28-12-18-34-62(52)74-64;1-5-23-47(24-6-1)49-27-21-33-53(43-49)71(51-29-9-3-10-30-51)65-45-63-67(73-65)70(61-41-19-15-37-57(61)58-38-16-20-42-62(58)70)64-46-66(74-68(64)69(63)59-39-17-13-35-55(59)56-36-14-18-40-60(56)69)72(52-31-11-4-12-32-52)54-34-22-28-50(44-54)48-25-7-2-8-26-48;1-5-21-47(22-6-1)49-37-41-53(42-38-49)71(51-25-9-3-10-26-51)65-45-63-67(73-65)70(61-35-19-15-31-57(61)58-32-16-20-36-62(58)70)64-46-66(74-68(64)69(63)59-33-17-13-29-55(59)56-30-14-18-34-60(56)69)72(52-27-11-4-12-28-52)54-43-39-50(40-44-54)48-23-7-2-8-24-48;;;/h4*1-42H;2*1-46H;3*1H4.
What are the key properties of CID 160655393?
CID 160655393 has a molecular weight of 5842.89 g/mol, XLogP of 112.88, 40 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160655393 is sourced from PubChem (CID 160655393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).