CID 157153327

C255H151N13O5 — CID 157153327

IUPAC—
SMILESCC1(C)c2ccccc2-c2cccc(-c3cnc4c(c3)C3(c5ccccc5Oc5cc6c(cc53)-c3ccccc3C63c5ccccc5-c5ccccc53)c3cccnc3-4)c21.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cnc3c(c2)C2(c4ccccc4Oc4cc5c(cc42)-c2ccccc2C52c4ccccc4-c4ccccc42)c2cccnc2-3)cc1.c1ccc2c(c1)Oc1cc3c(cc1C21c2cccnc2-c2ncc(-c4cccc5c4oc4ccccc45)cc21)-c1ccccc1C31c2ccccc2-c2ccccc21.c1ccc2c(c1)Oc1cc3c(cc1C21c2cccnc2-c2ncc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc21)-c1ccccc1C31c2ccccc2-c2ccccc21
InChIInChI=1S/C78H45N5O.C66H40N4O.C57H36N2O.C54H30N2O2/c1-8-25-59-49(18-1)50-19-2-9-26-60(50)77(59)61-27-10-3-20-51(61)56-43-65-74(44-64(56)77)84-73-34-16-11-28-62(73)78(65)63-29-17-39-79-75(63)76-66(78)42-48(45-80-76)83-71-37-35-46(81-67-30-12-4-21-52(67)53-22-5-13-31-68(53)81)40-57(71)58-41-47(36-38-72(58)83)82-69-32-14-6-23-54(69)55-24-7-15-33-70(55)82;1-3-18-41(19-4-1)69(42-20-5-2-6-21-42)43-33-34-60-50(36-43)48-25-10-15-31-59(48)70(60)44-37-58-64(68-40-44)63-55(30-17-35-67-63)66(58)54-29-14-16-32-61(54)71-62-39-56-49(38-57(62)66)47-24-9-13-28-53(47)65(56)51-26-11-7-22-45(51)46-23-8-12-27-52(46)65;1-55(2)41-21-7-3-17-37(41)39-20-13-19-34(52(39)55)33-29-49-54(59-32-33)53-46(26-14-28-58-53)57(49)45-25-11-12-27-50(45)60-51-31-47-40(30-48(51)57)38-18-6-10-24-44(38)56(47)42-22-8-4-15-35(42)36-16-5-9-23-43(36)56;1-5-19-39-33(13-1)34-14-2-6-20-40(34)53(39)41-21-7-3-15-35(41)38-28-45-49(29-44(38)53)57-48-25-10-8-22-42(48)54(45)43-23-12-26-55-50(43)51-46(54)27-31(30-56-51)32-17-11-18-37-36-16-4-9-24-47(36)58-52(32)37/h1-45H;1-40H;3-32H,1-2H3;1-30H
InChIKeyALMZPPKPOIUOQV-UHFFFAOYSA-N
MW3477.10 g/mol
LogP60.55
Rot. Bonds9

About CID 157153327

CID 157153327 (PubChem CID 157153327) has the molecular formula C255H151N13O5 and a molecular weight of 3477.10 g/mol.

Molecular Properties

Compound NameCID 157153327
PubChem CID157153327
Molecular FormulaC255H151N13O5
Molecular Weight3477.10 g/mol
Exact Mass3474.20
IUPAC Name—
SMILESCC1(C)c2ccccc2-c2cccc(-c3cnc4c(c3)C3(c5ccccc5Oc5cc6c(cc53)-c3ccccc3C63c5ccccc5-c5ccccc53)c3cccnc3-4)c21.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cnc3c(c2)C2(c4ccccc4Oc4cc5c(cc42)-c2ccccc2C52c4ccccc4-c4ccccc42)c2cccnc2-3)cc1.c1ccc2c(c1)Oc1cc3c(cc1C21c2cccnc2-c2ncc(-c4cccc5c4oc4ccccc45)cc21)-c1ccccc1C31c2ccccc2-c2ccccc21.c1ccc2c(c1)Oc1cc3c(cc1C21c2cccnc2-c2ncc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc21)-c1ccccc1C31c2ccccc2-c2ccccc21
InChIInChI=1S/C78H45N5O.C66H40N4O.C57H36N2O.C54H30N2O2/c1-8-25-59-49(18-1)50-19-2-9-26-60(50)77(59)61-27-10-3-20-51(61)56-43-65-74(44-64(56)77)84-73-34-16-11-28-62(73)78(65)63-29-17-39-79-75(63)76-66(78)42-48(45-80-76)83-71-37-35-46(81-67-30-12-4-21-52(67)53-22-5-13-31-68(53)81)40-57(71)58-41-47(36-38-72(58)83)82-69-32-14-6-23-54(69)55-24-7-15-33-70(55)82;1-3-18-41(19-4-1)69(42-20-5-2-6-21-42)43-33-34-60-50(36-43)48-25-10-15-31-59(48)70(60)44-37-58-64(68-40-44)63-55(30-17-35-67-63)66(58)54-29-14-16-32-61(54)71-62-39-56-49(38-57(62)66)47-24-9-13-28-53(47)65(56)51-26-11-7-22-45(51)46-23-8-12-27-52(46)65;1-55(2)41-21-7-3-17-37(41)39-20-13-19-34(52(39)55)33-29-49-54(59-32-33)53-46(26-14-28-58-53)57(49)45-25-11-12-27-50(45)60-51-31-47-40(30-48(51)57)38-18-6-10-24-44(38)56(47)42-22-8-4-15-35(42)36-16-5-9-23-43(36)56;1-5-19-39-33(13-1)34-14-2-6-20-40(34)53(39)41-21-7-3-15-35(41)38-28-45-49(29-44(38)53)57-48-25-10-8-22-42(48)54(45)43-23-12-26-55-50(43)51-46(54)27-31(30-56-51)32-17-11-18-37-36-16-4-9-24-47(36)58-52(32)37/h1-45H;1-40H;3-32H,1-2H3;1-30H
InChIKeyALMZPPKPOIUOQV-UHFFFAOYSA-N
XLogP60.55
TPSA176.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms273
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003477.10
LogP ≤ 560.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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Related Compounds

CID 159924052
CID 159924052
CID 159950207
CID 159950207
3'-carbazol-9-yl-5-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146656046
5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654531
N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167117957
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]fluorene-2,7-diamine
CID 158626381
9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164793881
7-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 157365296
2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654397
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794710
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]dibenzofuran-2-amine
CID 159153804
N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-3-amine;N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-3-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 158915505

Frequently Asked Questions

What is the IUPAC name of CID 157153327?
The IUPAC name of CID 157153327 (CID 157153327) is not available.
What is the SMILES notation for CID 157153327?
The canonical SMILES for CID 157153327 is CC1(C)c2ccccc2-c2cccc(-c3cnc4c(c3)C3(c5ccccc5Oc5cc6c(cc53)-c3ccccc3C63c5ccccc5-c5ccccc53)c3cccnc3-4)c21.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cnc3c(c2)C2(c4ccccc4Oc4cc5c(cc42)-c2ccccc2C52c4ccccc4-c4ccccc42)c2cccnc2-3)cc1.c1ccc2c(c1)Oc1cc3c(cc1C21c2cccnc2-c2ncc(-c4cccc5c4oc4ccccc45)cc21)-c1ccccc1C31c2ccccc2-c2ccccc21.c1ccc2c(c1)Oc1cc3c(cc1C21c2cccnc2-c2ncc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc21)-c1ccccc1C31c2ccccc2-c2ccccc21.
What is the InChIKey of CID 157153327?
The InChIKey is ALMZPPKPOIUOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H45N5O.C66H40N4O.C57H36N2O.C54H30N2O2/c1-8-25-59-49(18-1)50-19-2-9-26-60(50)77(59)61-27-10-3-20-51(61)56-43-65-74(44-64(56)77)84-73-34-16-11-28-62(73)78(65)63-29-17-39-79-75(63)76-66(78)42-48(45-80-76)83-71-37-35-46(81-67-30-12-4-21-52(67)53-22-5-13-31-68(53)81)40-57(71)58-41-47(36-38-72(58)83)82-69-32-14-6-23-54(69)55-24-7-15-33-70(55)82;1-3-18-41(19-4-1)69(42-20-5-2-6-21-42)43-33-34-60-50(36-43)48-25-10-15-31-59(48)70(60)44-37-58-64(68-40-44)63-55(30-17-35-67-63)66(58)54-29-14-16-32-61(54)71-62-39-56-49(38-57(62)66)47-24-9-13-28-53(47)65(56)51-26-11-7-22-45(51)46-23-8-12-27-52(46)65;1-55(2)41-21-7-3-17-37(41)39-20-13-19-34(52(39)55)33-29-49-54(59-32-33)53-46(26-14-28-58-53)57(49)45-25-11-12-27-50(45)60-51-31-47-40(30-48(51)57)38-18-6-10-24-44(38)56(47)42-22-8-4-15-35(42)36-16-5-9-23-43(36)56;1-5-19-39-33(13-1)34-14-2-6-20-40(34)53(39)41-21-7-3-15-35(41)38-28-45-49(29-44(38)53)57-48-25-10-8-22-42(48)54(45)43-23-12-26-55-50(43)51-46(54)27-31(30-56-51)32-17-11-18-37-36-16-4-9-24-47(36)58-52(32)37/h1-45H;1-40H;3-32H,1-2H3;1-30H.
What are the key properties of CID 157153327?
CID 157153327 has a molecular weight of 3477.10 g/mol, XLogP of 60.55, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157153327 is sourced from PubChem (CID 157153327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).