CID 157208527

C290H181N17O — CID 157208527

IUPAC—
SMILESCC1(C)c2ccccc2C2(c3cc4c(cc31)C1(c3ccccc3-c3ccccc31)c1ccccc1-4)c1cc(-n3c4ccccc4c4ccccc43)cnc1-c1ncc(-n3c4ccccc4c4ccccc43)cc12.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3cc4c(cc31)-c1ccccc1C41c3ccccc3-c3ccccc31)c1cc(-n3c4ccc(C)cc4c4cc(C)ccc43)cnc1-2.c1ccc(C2(c3ccccc3)c3ccccc3C3(c4cc5c(cc42)C2(c4ccccc4-c4ccccc42)c2ccccc2-5)c2cc(-n4c5ccccc5c5ccccc54)cnc2-c2ncc(-n4c5ccccc5c5ccccc54)cc23)cc1.c1ccc(N2c3ccccc3C3(c4cc5c(cc42)C2(c4ccccc4-c4ccccc42)c2ccccc2-5)c2cc(-n4c5ccccc5c5ccccc54)cnc2-c2ncc(-n4c5ccccc5c5ccccc54)cc23)cc1
InChIInChI=1S/C79H48N4.C72H43N5.C70H46N4O.C69H44N4/c1-3-23-49(24-4-1)77(50-25-5-2-6-26-50)64-37-17-18-38-65(64)79(67-45-60-55-29-9-16-36-63(55)78(66(60)46-68(67)77)61-34-14-7-27-53(61)54-28-8-15-35-62(54)78)69-43-51(82-71-39-19-10-30-56(71)57-31-11-20-40-72(57)82)47-80-75(69)76-70(79)44-52(48-81-76)83-73-41-21-12-32-58(73)59-33-13-22-42-74(59)83;1-2-20-44(21-3-1)75-67-37-19-14-32-58(67)72(60-40-54-49-24-6-13-31-57(49)71(59(54)41-68(60)75)55-29-11-4-22-47(55)48-23-5-12-30-56(48)71)61-38-45(76-63-33-15-7-25-50(63)51-26-8-16-34-64(51)76)42-73-69(61)70-62(72)39-46(43-74-70)77-65-35-17-9-27-52(65)53-28-10-18-36-66(53)77;1-39-21-25-61-49(29-39)50-30-40(2)22-26-62(50)73(61)43-33-59-67(71-37-43)68-60(34-44(38-72-68)74-63-27-23-41(3)31-51(63)52-32-42(4)24-28-64(52)74)70(59)56-19-11-12-20-65(56)75-66-36-57-48(35-58(66)70)47-15-7-10-18-55(47)69(57)53-16-8-5-13-45(53)46-14-6-9-17-54(46)69;1-67(2)54-29-13-14-30-55(54)69(58-37-50-45-21-5-12-28-53(45)68(56(50)38-57(58)67)51-26-10-3-19-43(51)44-20-4-11-27-52(44)68)59-35-41(72-61-31-15-6-22-46(61)47-23-7-16-32-62(47)72)39-70-65(59)66-60(69)36-42(40-71-66)73-63-33-17-8-24-48(63)49-25-9-18-34-64(49)73/h1-48H;1-43H;5-38H,1-4H3;3-40H,1-2H3
InChIKeyARPXXTHLWIWLFV-UHFFFAOYSA-N
MW3919.76 g/mol
LogP67.97
Rot. Bonds11

About CID 157208527

CID 157208527 (PubChem CID 157208527) has the molecular formula C290H181N17O and a molecular weight of 3919.76 g/mol.

Molecular Properties

Compound NameCID 157208527
PubChem CID157208527
Molecular FormulaC290H181N17O
Molecular Weight3919.76 g/mol
Exact Mass3916.46
IUPAC Name—
SMILESCC1(C)c2ccccc2C2(c3cc4c(cc31)C1(c3ccccc3-c3ccccc31)c1ccccc1-4)c1cc(-n3c4ccccc4c4ccccc43)cnc1-c1ncc(-n3c4ccccc4c4ccccc43)cc12.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3cc4c(cc31)-c1ccccc1C41c3ccccc3-c3ccccc31)c1cc(-n3c4ccc(C)cc4c4cc(C)ccc43)cnc1-2.c1ccc(C2(c3ccccc3)c3ccccc3C3(c4cc5c(cc42)C2(c4ccccc4-c4ccccc42)c2ccccc2-5)c2cc(-n4c5ccccc5c5ccccc54)cnc2-c2ncc(-n4c5ccccc5c5ccccc54)cc23)cc1.c1ccc(N2c3ccccc3C3(c4cc5c(cc42)C2(c4ccccc4-c4ccccc42)c2ccccc2-5)c2cc(-n4c5ccccc5c5ccccc54)cnc2-c2ncc(-n4c5ccccc5c5ccccc54)cc23)cc1
InChIInChI=1S/C79H48N4.C72H43N5.C70H46N4O.C69H44N4/c1-3-23-49(24-4-1)77(50-25-5-2-6-26-50)64-37-17-18-38-65(64)79(67-45-60-55-29-9-16-36-63(55)78(66(60)46-68(67)77)61-34-14-7-27-53(61)54-28-8-15-35-62(54)78)69-43-51(82-71-39-19-10-30-56(71)57-31-11-20-40-72(57)82)47-80-75(69)76-70(79)44-52(48-81-76)83-73-41-21-12-32-58(73)59-33-13-22-42-74(59)83;1-2-20-44(21-3-1)75-67-37-19-14-32-58(67)72(60-40-54-49-24-6-13-31-57(49)71(59(54)41-68(60)75)55-29-11-4-22-47(55)48-23-5-12-30-56(48)71)61-38-45(76-63-33-15-7-25-50(63)51-26-8-16-34-64(51)76)42-73-69(61)70-62(72)39-46(43-74-70)77-65-35-17-9-27-52(65)53-28-10-18-36-66(53)77;1-39-21-25-61-49(29-39)50-30-40(2)22-26-62(50)73(61)43-33-59-67(71-37-43)68-60(34-44(38-72-68)74-63-27-23-41(3)31-51(63)52-32-42(4)24-28-64(52)74)70(59)56-19-11-12-20-65(56)75-66-36-57-48(35-58(66)70)47-15-7-10-18-55(47)69(57)53-16-8-5-13-45(53)46-14-6-9-17-54(46)69;1-67(2)54-29-13-14-30-55(54)69(58-37-50-45-21-5-12-28-53(45)68(56(50)38-57(58)67)51-26-10-3-19-43(51)44-20-4-11-27-52(44)68)59-35-41(72-61-31-15-6-22-46(61)47-23-7-16-32-62(47)72)39-70-65(59)66-60(69)36-42(40-71-66)73-63-33-17-8-24-48(63)49-25-9-18-34-64(49)73/h1-48H;1-43H;5-38H,1-4H3;3-40H,1-2H3
InChIKeyARPXXTHLWIWLFV-UHFFFAOYSA-N
XLogP67.97
TPSA155.03 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms308
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003919.76
LogP ≤ 567.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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Related Compounds

10-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)spiro[acridine-9,9'-fluorene];10-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)spiro[acridine-9,9'-xanthene];10-(9,9-dimethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 162145849
2',7'-bis(9,9-dimethylacridin-10-yl)-10'-phenylspiro[6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine];2',7'-di(carbazol-9-yl)-10'-phenylspiro[6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine];2'-(9,9-dimethylacridin-10-yl)-10'-phenylspiro[6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine];10-(7'-phenoxazin-10-yl-10'-phenylspiro[6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-2'-yl)phenoxazine
CID 160667766
2,7-dimethyl-9,9-diphenyl-10-[5-(1,3,5-triazin-2-yl)pyrido[3,2-b]indol-8-yl]acridine;9,9-dimethyl-10-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)acridine;2,7-dimethyl-10-[5-(1,3,5-triazin-2-yl)pyrido[3,2-b]indol-8-yl]spiro[acridine-9,9'-fluorene];2,7-dimethyl-10-[5-(1,3,5-triazin-2-yl)pyrido[3,2-b]indol-8-yl]spiro[acridine-9,9'-xanthene]
CID 157188681
9,9-dimethyl-N-phenyl-N-[4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)aniline;10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
CID 158978466
10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
CID 134351848
9-[11-(3-cyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile
CID 146655395
3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene]
CID 158998878
2-(7,10-diphenylspiro[acridine-9,9'-thioxanthene]-2-yl)-7,10-diphenylspiro[acridine-9,9'-xanthene];10-(9-phenylcarbazol-2-yl)-2-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-thioxanthene];10'-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-acridine];10'-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-acridine];12,12,20,20-tetramethyl-16-(4-phenylphenyl)spiro[16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene-2,9'-thioxanthene];2,7,10-triphenylspiro[acridine-9,9'-thioxanthene]
CID 157437189
10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
CID 146511336
8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene
CID 71004390
CID 157153327
CID 157153327
10,10,21,21-tetramethyl-14-(9-phenylcarbazol-3-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130450658

Frequently Asked Questions

What is the IUPAC name of CID 157208527?
The IUPAC name of CID 157208527 (CID 157208527) is not available.
What is the SMILES notation for CID 157208527?
The canonical SMILES for CID 157208527 is CC1(C)c2ccccc2C2(c3cc4c(cc31)C1(c3ccccc3-c3ccccc31)c1ccccc1-4)c1cc(-n3c4ccccc4c4ccccc43)cnc1-c1ncc(-n3c4ccccc4c4ccccc43)cc12.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3cc4c(cc31)-c1ccccc1C41c3ccccc3-c3ccccc31)c1cc(-n3c4ccc(C)cc4c4cc(C)ccc43)cnc1-2.c1ccc(C2(c3ccccc3)c3ccccc3C3(c4cc5c(cc42)C2(c4ccccc4-c4ccccc42)c2ccccc2-5)c2cc(-n4c5ccccc5c5ccccc54)cnc2-c2ncc(-n4c5ccccc5c5ccccc54)cc23)cc1.c1ccc(N2c3ccccc3C3(c4cc5c(cc42)C2(c4ccccc4-c4ccccc42)c2ccccc2-5)c2cc(-n4c5ccccc5c5ccccc54)cnc2-c2ncc(-n4c5ccccc5c5ccccc54)cc23)cc1.
What is the InChIKey of CID 157208527?
The InChIKey is ARPXXTHLWIWLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H48N4.C72H43N5.C70H46N4O.C69H44N4/c1-3-23-49(24-4-1)77(50-25-5-2-6-26-50)64-37-17-18-38-65(64)79(67-45-60-55-29-9-16-36-63(55)78(66(60)46-68(67)77)61-34-14-7-27-53(61)54-28-8-15-35-62(54)78)69-43-51(82-71-39-19-10-30-56(71)57-31-11-20-40-72(57)82)47-80-75(69)76-70(79)44-52(48-81-76)83-73-41-21-12-32-58(73)59-33-13-22-42-74(59)83;1-2-20-44(21-3-1)75-67-37-19-14-32-58(67)72(60-40-54-49-24-6-13-31-57(49)71(59(54)41-68(60)75)55-29-11-4-22-47(55)48-23-5-12-30-56(48)71)61-38-45(76-63-33-15-7-25-50(63)51-26-8-16-34-64(51)76)42-73-69(61)70-62(72)39-46(43-74-70)77-65-35-17-9-27-52(65)53-28-10-18-36-66(53)77;1-39-21-25-61-49(29-39)50-30-40(2)22-26-62(50)73(61)43-33-59-67(71-37-43)68-60(34-44(38-72-68)74-63-27-23-41(3)31-51(63)52-32-42(4)24-28-64(52)74)70(59)56-19-11-12-20-65(56)75-66-36-57-48(35-58(66)70)47-15-7-10-18-55(47)69(57)53-16-8-5-13-45(53)46-14-6-9-17-54(46)69;1-67(2)54-29-13-14-30-55(54)69(58-37-50-45-21-5-12-28-53(45)68(56(50)38-57(58)67)51-26-10-3-19-43(51)44-20-4-11-27-52(44)68)59-35-41(72-61-31-15-6-22-46(61)47-23-7-16-32-62(47)72)39-70-65(59)66-60(69)36-42(40-71-66)73-63-33-17-8-24-48(63)49-25-9-18-34-64(49)73/h1-48H;1-43H;5-38H,1-4H3;3-40H,1-2H3.
What are the key properties of CID 157208527?
CID 157208527 has a molecular weight of 3919.76 g/mol, XLogP of 67.97, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157208527 is sourced from PubChem (CID 157208527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).