CID 157315185

C492H304N24O16S4 — CID 157315185

IUPAC—
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc4c(o3)C3(c5ccccc5N(c5ccccc5)c5ccccc53)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)oc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cc4c(o3)C3(c5ccccc5N(c5ccccc5)c5ccccc53)c3cc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)oc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc1.c1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)oc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)oc23)cc1.c1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-n4c5ccccc5c5c6c(ccc54)sc4ccccc46)oc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-n4c5ccccc5c5c6c(ccc54)sc4ccccc46)oc23)cc1.c1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)oc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)oc23)cc1.c1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)oc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)oc23)cc1
InChIInChI=1S/2C82H48N4O4.2C82H48N4O2S2.2C82H56N4O2/c1-3-23-49(24-4-1)83-67-37-17-11-31-59(67)81(60-32-12-18-38-68(60)83)63-47-73(85-65-35-15-7-27-51(65)55-43-45-57-53-29-9-21-41-71(53)87-77(57)75(55)85)90-80(63)82(61-33-13-19-39-69(61)84(50-25-5-2-6-26-50)70-40-20-14-34-62(70)82)64-48-74(89-79(64)81)86-66-36-16-8-28-52(66)56-44-46-58-54-30-10-22-42-72(54)88-78(58)76(56)86;1-3-23-49(24-4-1)83-63-37-17-11-31-55(63)81(56-32-12-18-38-64(56)83)59-47-73(85-61-35-15-7-27-51(61)75-67(85)43-45-71-77(75)53-29-9-21-41-69(53)87-71)90-80(59)82(57-33-13-19-39-65(57)84(50-25-5-2-6-26-50)66-40-20-14-34-58(66)82)60-48-74(89-79(60)81)86-62-36-16-8-28-52(62)76-68(86)44-46-72-78(76)54-30-10-22-42-70(54)88-72;1-3-23-49(24-4-1)83-67-37-17-11-31-59(67)81(60-32-12-18-38-68(60)83)63-47-73(85-65-35-15-7-27-51(65)55-43-45-57-53-29-9-21-41-71(53)89-77(57)75(55)85)88-80(63)82(61-33-13-19-39-69(61)84(50-25-5-2-6-26-50)70-40-20-14-34-62(70)82)64-48-74(87-79(64)81)86-66-36-16-8-28-52(66)56-44-46-58-54-30-10-22-42-72(54)90-78(58)76(56)86;1-3-23-49(24-4-1)83-63-37-17-11-31-55(63)81(56-32-12-18-38-64(56)83)59-47-73(85-61-35-15-7-27-51(61)75-67(85)43-45-71-77(75)53-29-9-21-41-69(53)89-71)88-80(59)82(57-33-13-19-39-65(57)84(50-25-5-2-6-26-50)66-40-20-14-34-58(66)82)60-48-74(87-79(60)81)86-62-36-16-8-28-52(62)76-68(86)44-46-72-78(76)54-30-10-22-42-70(54)90-72;1-7-29-57(30-8-1)59-33-27-43-65(53-59)83(61-35-11-3-12-36-61)77-55-71-79(87-77)82(69-47-21-25-51-75(69)86(64-41-17-6-18-42-64)76-52-26-22-48-70(76)82)72-56-78(84(62-37-13-4-14-38-62)66-44-28-34-60(54-66)58-31-9-2-10-32-58)88-80(72)81(71)67-45-19-23-49-73(67)85(63-39-15-5-16-40-63)74-50-24-20-46-68(74)81;1-7-27-57(28-8-1)59-47-51-65(52-48-59)83(61-31-11-3-12-32-61)77-55-71-79(87-77)82(69-41-21-25-45-75(69)86(64-37-17-6-18-38-64)76-46-26-22-42-70(76)82)72-56-78(84(62-33-13-4-14-34-62)66-53-49-60(50-54-66)58-29-9-2-10-30-58)88-80(72)81(71)67-39-19-23-43-73(67)85(63-35-15-5-16-36-63)74-44-24-20-40-68(74)81/h4*1-48H;2*1-56H
InChIKeyBDMVHUNRUMPONH-UHFFFAOYSA-N
MW6936.26 g/mol
LogP131.50
Rot. Bonds36

About CID 157315185

CID 157315185 (PubChem CID 157315185) has the molecular formula C492H304N24O16S4 and a molecular weight of 6936.26 g/mol.

Molecular Properties

Compound NameCID 157315185
PubChem CID157315185
Molecular FormulaC492H304N24O16S4
Molecular Weight6936.26 g/mol
Exact Mass6930.26
IUPAC Name—
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc4c(o3)C3(c5ccccc5N(c5ccccc5)c5ccccc53)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)oc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cc4c(o3)C3(c5ccccc5N(c5ccccc5)c5ccccc53)c3cc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)oc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc1.c1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)oc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)oc23)cc1.c1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-n4c5ccccc5c5c6c(ccc54)sc4ccccc46)oc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-n4c5ccccc5c5c6c(ccc54)sc4ccccc46)oc23)cc1.c1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)oc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)oc23)cc1.c1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)oc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)oc23)cc1
InChIInChI=1S/2C82H48N4O4.2C82H48N4O2S2.2C82H56N4O2/c1-3-23-49(24-4-1)83-67-37-17-11-31-59(67)81(60-32-12-18-38-68(60)83)63-47-73(85-65-35-15-7-27-51(65)55-43-45-57-53-29-9-21-41-71(53)87-77(57)75(55)85)90-80(63)82(61-33-13-19-39-69(61)84(50-25-5-2-6-26-50)70-40-20-14-34-62(70)82)64-48-74(89-79(64)81)86-66-36-16-8-28-52(66)56-44-46-58-54-30-10-22-42-72(54)88-78(58)76(56)86;1-3-23-49(24-4-1)83-63-37-17-11-31-55(63)81(56-32-12-18-38-64(56)83)59-47-73(85-61-35-15-7-27-51(61)75-67(85)43-45-71-77(75)53-29-9-21-41-69(53)87-71)90-80(59)82(57-33-13-19-39-65(57)84(50-25-5-2-6-26-50)66-40-20-14-34-58(66)82)60-48-74(89-79(60)81)86-62-36-16-8-28-52(62)76-68(86)44-46-72-78(76)54-30-10-22-42-70(54)88-72;1-3-23-49(24-4-1)83-67-37-17-11-31-59(67)81(60-32-12-18-38-68(60)83)63-47-73(85-65-35-15-7-27-51(65)55-43-45-57-53-29-9-21-41-71(53)89-77(57)75(55)85)88-80(63)82(61-33-13-19-39-69(61)84(50-25-5-2-6-26-50)70-40-20-14-34-62(70)82)64-48-74(87-79(64)81)86-66-36-16-8-28-52(66)56-44-46-58-54-30-10-22-42-72(54)90-78(58)76(56)86;1-3-23-49(24-4-1)83-63-37-17-11-31-55(63)81(56-32-12-18-38-64(56)83)59-47-73(85-61-35-15-7-27-51(61)75-67(85)43-45-71-77(75)53-29-9-21-41-69(53)89-71)88-80(59)82(57-33-13-19-39-65(57)84(50-25-5-2-6-26-50)66-40-20-14-34-58(66)82)60-48-74(87-79(60)81)86-62-36-16-8-28-52(62)76-68(86)44-46-72-78(76)54-30-10-22-42-70(54)90-72;1-7-29-57(30-8-1)59-33-27-43-65(53-59)83(61-35-11-3-12-36-61)77-55-71-79(87-77)82(69-47-21-25-51-75(69)86(64-41-17-6-18-42-64)76-52-26-22-48-70(76)82)72-56-78(84(62-37-13-4-14-38-62)66-44-28-34-60(54-66)58-31-9-2-10-32-58)88-80(72)81(71)67-45-19-23-49-73(67)85(63-39-15-5-16-40-63)74-50-24-20-46-68(74)81;1-7-27-57(28-8-1)59-47-51-65(52-48-59)83(61-31-11-3-12-32-61)77-55-71-79(87-77)82(69-41-21-25-45-75(69)86(64-37-17-6-18-38-64)76-46-26-22-42-70(76)82)72-56-78(84(62-33-13-4-14-34-62)66-53-49-60(50-54-66)58-29-9-2-10-30-58)88-80(72)81(71)67-39-19-23-43-73(67)85(63-35-15-5-16-36-63)74-44-24-20-40-68(74)81/h4*1-48H;2*1-56H
InChIKeyBDMVHUNRUMPONH-UHFFFAOYSA-N
XLogP131.50
TPSA301.52 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds36
Heavy Atoms536
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006936.26
LogP ≤ 5131.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

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Related Compounds

CID 160598394
CID 160598394
CID 160903689
CID 160903689
20-(4-pyridin-3-ylphenyl)-4-oxa-1,20-diazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4-pyridin-3-ylphenyl)-10-oxa-15,22-diazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;20-(4-pyridin-3-ylphenyl)-4-thia-1,20-diazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(4-pyridin-3-ylphenyl)-10-thia-1,20-diazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene
CID 157244827
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-phenylcarbazol-9-yl)-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 163943573
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 118405520
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159292400
1-N-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-1-N-phenylbenzene-1,3-diamine;3-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-3-N-dibenzothiophen-2-yl-1-N,1-N-diphenylbenzene-1,3-diamine;3-N-dibenzothiophen-2-yl-3-N-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-1-N,1-N-diphenylbenzene-1,3-diamine;3-N-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]benzene-1,3-diamine
CID 160796602
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 158890240
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 118405592
N-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-yl-N-(3-phenylphenyl)phenoxazin-3-amine;N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-(3-phenylphenyl)phenoxazin-3-amine;10-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-N-(3-phenylphenyl)phenoxazin-3-amine
CID 165094290
10-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;14-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 165093291
N-[4-(9-dibenzofuran-4-yl-9-phenylacridin-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-dibenzothiophen-4-yl-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine;9-dibenzothiophen-4-yl-9-phenyl-10-(9-phenylcarbazol-3-yl)acridine
CID 162162744

Frequently Asked Questions

What is the IUPAC name of CID 157315185?
The IUPAC name of CID 157315185 (CID 157315185) is not available.
What is the SMILES notation for CID 157315185?
The canonical SMILES for CID 157315185 is c1ccc(-c2ccc(N(c3ccccc3)c3cc4c(o3)C3(c5ccccc5N(c5ccccc5)c5ccccc53)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)oc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cc4c(o3)C3(c5ccccc5N(c5ccccc5)c5ccccc53)c3cc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)oc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc1.c1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)oc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)oc23)cc1.c1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-n4c5ccccc5c5c6c(ccc54)sc4ccccc46)oc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-n4c5ccccc5c5c6c(ccc54)sc4ccccc46)oc23)cc1.c1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)oc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)oc23)cc1.c1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)oc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)oc23)cc1.
What is the InChIKey of CID 157315185?
The InChIKey is BDMVHUNRUMPONH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C82H48N4O4.2C82H48N4O2S2.2C82H56N4O2/c1-3-23-49(24-4-1)83-67-37-17-11-31-59(67)81(60-32-12-18-38-68(60)83)63-47-73(85-65-35-15-7-27-51(65)55-43-45-57-53-29-9-21-41-71(53)87-77(57)75(55)85)90-80(63)82(61-33-13-19-39-69(61)84(50-25-5-2-6-26-50)70-40-20-14-34-62(70)82)64-48-74(89-79(64)81)86-66-36-16-8-28-52(66)56-44-46-58-54-30-10-22-42-72(54)88-78(58)76(56)86;1-3-23-49(24-4-1)83-63-37-17-11-31-55(63)81(56-32-12-18-38-64(56)83)59-47-73(85-61-35-15-7-27-51(61)75-67(85)43-45-71-77(75)53-29-9-21-41-69(53)87-71)90-80(59)82(57-33-13-19-39-65(57)84(50-25-5-2-6-26-50)66-40-20-14-34-58(66)82)60-48-74(89-79(60)81)86-62-36-16-8-28-52(62)76-68(86)44-46-72-78(76)54-30-10-22-42-70(54)88-72;1-3-23-49(24-4-1)83-67-37-17-11-31-59(67)81(60-32-12-18-38-68(60)83)63-47-73(85-65-35-15-7-27-51(65)55-43-45-57-53-29-9-21-41-71(53)89-77(57)75(55)85)88-80(63)82(61-33-13-19-39-69(61)84(50-25-5-2-6-26-50)70-40-20-14-34-62(70)82)64-48-74(87-79(64)81)86-66-36-16-8-28-52(66)56-44-46-58-54-30-10-22-42-72(54)90-78(58)76(56)86;1-3-23-49(24-4-1)83-63-37-17-11-31-55(63)81(56-32-12-18-38-64(56)83)59-47-73(85-61-35-15-7-27-51(61)75-67(85)43-45-71-77(75)53-29-9-21-41-69(53)89-71)88-80(59)82(57-33-13-19-39-65(57)84(50-25-5-2-6-26-50)66-40-20-14-34-58(66)82)60-48-74(87-79(60)81)86-62-36-16-8-28-52(62)76-68(86)44-46-72-78(76)54-30-10-22-42-70(54)90-72;1-7-29-57(30-8-1)59-33-27-43-65(53-59)83(61-35-11-3-12-36-61)77-55-71-79(87-77)82(69-47-21-25-51-75(69)86(64-41-17-6-18-42-64)76-52-26-22-48-70(76)82)72-56-78(84(62-37-13-4-14-38-62)66-44-28-34-60(54-66)58-31-9-2-10-32-58)88-80(72)81(71)67-45-19-23-49-73(67)85(63-39-15-5-16-40-63)74-50-24-20-46-68(74)81;1-7-27-57(28-8-1)59-47-51-65(52-48-59)83(61-31-11-3-12-32-61)77-55-71-79(87-77)82(69-41-21-25-45-75(69)86(64-37-17-6-18-38-64)76-46-26-22-42-70(76)82)72-56-78(84(62-33-13-4-14-34-62)66-53-49-60(50-54-66)58-29-9-2-10-30-58)88-80(72)81(71)67-39-19-23-43-73(67)85(63-35-15-5-16-36-63)74-44-24-20-40-68(74)81/h4*1-48H;2*1-56H.
What are the key properties of CID 157315185?
CID 157315185 has a molecular weight of 6936.26 g/mol, XLogP of 131.50, 36 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157315185 is sourced from PubChem (CID 157315185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).