CID 165073039

C240H170N4O6 — CID 165073039

IUPAC—
SMILESCC1(C)c2cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc5c(cc3-4)C(c3ccccc3)(c3ccccc3)c3ccc4oc6ccccc6c4c3-5)c3ccccn3)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccccc2C1(C)C.Cc1cccc(C)c1N(c1ccc2c(c1)C(C)(C)c1c3c(c4c(oc5ccccc54)c1-2)-c1ccccc1C3(C)C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc3c(cc1-2)C1(c2ccccc2-c2ccccc21)c1ccc2oc4ccccc4c2c1-3.Cc1ccccc1N(c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1ccc2oc4ccccc4c2c1-3)c1ccc2c(c1)C(C)(C)c1c3c(c4c(oc5ccccc54)c1-2)-c1ccccc1C3(C)C
InChIInChI=1S/C88H59NO2.C85H58N2O2.C67H53NO2/c1-48-22-21-23-49(2)83(48)89(50-39-41-58-69(44-50)86(5,6)82-80(58)84-79(60-30-13-20-37-74(60)91-84)78-57-28-11-14-31-63(57)85(3,4)81(78)82)51-38-40-56-61-46-72-62(47-71(61)88(70(56)45-51)66-34-17-9-26-54(66)55-27-10-18-35-67(55)88)76-68(42-43-75-77(76)59-29-12-19-36-73(59)90-75)87(72)64-32-15-7-24-52(64)53-25-8-16-33-65(53)87;1-82(2)64-36-20-17-33-58(64)76-77-61-35-19-22-38-71(61)89-81(77)78-59-43-41-55(47-66(59)83(3,4)80(78)79(76)82)87(73-39-23-24-46-86-73)56-40-42-57-62-49-69-63(50-68(62)85(67(57)48-56,53-29-13-7-14-30-53)54-31-15-8-16-32-54)74-65(44-45-72-75(74)60-34-18-21-37-70(60)88-72)84(69,51-25-9-5-10-26-51)52-27-11-6-12-28-52;1-36-18-10-15-23-52(36)68(37-26-28-39-44-34-51-45(35-50(44)65(4,5)48(39)32-37)56-47(64(51,2)3)30-31-55-57(56)42-20-12-16-24-53(42)69-55)38-27-29-41-49(33-38)67(8,9)62-60(41)63-59(43-21-13-17-25-54(43)70-63)58-40-19-11-14-22-46(40)66(6,7)61(58)62/h7-47H,1-6H3;5-50H,1-4H3;10-35H,1-9H3
InChIKeyTVRRGMZQZNPAMJ-UHFFFAOYSA-N
MW3206.02 g/mol
LogP63.05
Rot. Bonds13

About CID 165073039

CID 165073039 (PubChem CID 165073039) has the molecular formula C240H170N4O6 and a molecular weight of 3206.02 g/mol.

Molecular Properties

Compound NameCID 165073039
PubChem CID165073039
Molecular FormulaC240H170N4O6
Molecular Weight3206.02 g/mol
Exact Mass3203.31
IUPAC Name—
SMILESCC1(C)c2cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc5c(cc3-4)C(c3ccccc3)(c3ccccc3)c3ccc4oc6ccccc6c4c3-5)c3ccccn3)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccccc2C1(C)C.Cc1cccc(C)c1N(c1ccc2c(c1)C(C)(C)c1c3c(c4c(oc5ccccc54)c1-2)-c1ccccc1C3(C)C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc3c(cc1-2)C1(c2ccccc2-c2ccccc21)c1ccc2oc4ccccc4c2c1-3.Cc1ccccc1N(c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1ccc2oc4ccccc4c2c1-3)c1ccc2c(c1)C(C)(C)c1c3c(c4c(oc5ccccc54)c1-2)-c1ccccc1C3(C)C
InChIInChI=1S/C88H59NO2.C85H58N2O2.C67H53NO2/c1-48-22-21-23-49(2)83(48)89(50-39-41-58-69(44-50)86(5,6)82-80(58)84-79(60-30-13-20-37-74(60)91-84)78-57-28-11-14-31-63(57)85(3,4)81(78)82)51-38-40-56-61-46-72-62(47-71(61)88(70(56)45-51)66-34-17-9-26-54(66)55-27-10-18-35-67(55)88)76-68(42-43-75-77(76)59-29-12-19-36-73(59)90-75)87(72)64-32-15-7-24-52(64)53-25-8-16-33-65(53)87;1-82(2)64-36-20-17-33-58(64)76-77-61-35-19-22-38-71(61)89-81(77)78-59-43-41-55(47-66(59)83(3,4)80(78)79(76)82)87(73-39-23-24-46-86-73)56-40-42-57-62-49-69-63(50-68(62)85(67(57)48-56,53-29-13-7-14-30-53)54-31-15-8-16-32-54)74-65(44-45-72-75(74)60-34-18-21-37-70(60)88-72)84(69,51-25-9-5-10-26-51)52-27-11-6-12-28-52;1-36-18-10-15-23-52(36)68(37-26-28-39-44-34-51-45(35-50(44)65(4,5)48(39)32-37)56-47(64(51,2)3)30-31-55-57(56)42-20-12-16-24-53(42)69-55)38-27-29-41-49(33-38)67(8,9)62-60(41)63-59(43-21-13-17-25-54(43)70-63)58-40-19-11-14-22-46(40)66(6,7)61(58)62/h7-47H,1-6H3;5-50H,1-4H3;10-35H,1-9H3
InChIKeyTVRRGMZQZNPAMJ-UHFFFAOYSA-N
XLogP63.05
TPSA101.45 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms250
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003206.02
LogP ≤ 563.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

CID 165033986
CID 165033986
N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)pyridin-2-amine
CID 164754764
N-dibenzofuran-4-yl-18,18,21,21-tetramethyl-N-(15,15,25,25-tetraphenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
CID 164754731
18,18,21,21-tetramethyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-(15,15,25,25-tetraphenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
CID 146439731
18,18,21,21-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-N-(15,15,25,25-tetraphenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
CID 146439465
N-dibenzofuran-3-yl-18,18,21,21-tetramethyl-N-(15,15,25,25-tetraphenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
CID 146439890
N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl)pyrimidin-2-amine
CID 146439673
N-(2,6-dimethylphenyl)-N-[11-(3,5-dimethylphenyl)-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 164801556
N,18,18,21,21-pentakis-phenyl-N-(15,15,25,25-tetraphenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 164754821
14,14-dimethyl-11-N,11-N-diphenyl-17-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-17-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine
CID 146432039
18,18,21,21-tetramethyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-(11,14,14-triphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 164801642
N-(14,14-dimethyl-11-pyridin-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-18,18,21,21-tetramethyl-N-(2,4,6-trimethylphenyl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
CID 146432335

Frequently Asked Questions

What is the IUPAC name of CID 165073039?
The IUPAC name of CID 165073039 (CID 165073039) is not available.
What is the SMILES notation for CID 165073039?
The canonical SMILES for CID 165073039 is CC1(C)c2cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc5c(cc3-4)C(c3ccccc3)(c3ccccc3)c3ccc4oc6ccccc6c4c3-5)c3ccccn3)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccccc2C1(C)C.Cc1cccc(C)c1N(c1ccc2c(c1)C(C)(C)c1c3c(c4c(oc5ccccc54)c1-2)-c1ccccc1C3(C)C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc3c(cc1-2)C1(c2ccccc2-c2ccccc21)c1ccc2oc4ccccc4c2c1-3.Cc1ccccc1N(c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1ccc2oc4ccccc4c2c1-3)c1ccc2c(c1)C(C)(C)c1c3c(c4c(oc5ccccc54)c1-2)-c1ccccc1C3(C)C.
What is the InChIKey of CID 165073039?
The InChIKey is TVRRGMZQZNPAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H59NO2.C85H58N2O2.C67H53NO2/c1-48-22-21-23-49(2)83(48)89(50-39-41-58-69(44-50)86(5,6)82-80(58)84-79(60-30-13-20-37-74(60)91-84)78-57-28-11-14-31-63(57)85(3,4)81(78)82)51-38-40-56-61-46-72-62(47-71(61)88(70(56)45-51)66-34-17-9-26-54(66)55-27-10-18-35-67(55)88)76-68(42-43-75-77(76)59-29-12-19-36-73(59)90-75)87(72)64-32-15-7-24-52(64)53-25-8-16-33-65(53)87;1-82(2)64-36-20-17-33-58(64)76-77-61-35-19-22-38-71(61)89-81(77)78-59-43-41-55(47-66(59)83(3,4)80(78)79(76)82)87(73-39-23-24-46-86-73)56-40-42-57-62-49-69-63(50-68(62)85(67(57)48-56,53-29-13-7-14-30-53)54-31-15-8-16-32-54)74-65(44-45-72-75(74)60-34-18-21-37-70(60)88-72)84(69,51-25-9-5-10-26-51)52-27-11-6-12-28-52;1-36-18-10-15-23-52(36)68(37-26-28-39-44-34-51-45(35-50(44)65(4,5)48(39)32-37)56-47(64(51,2)3)30-31-55-57(56)42-20-12-16-24-53(42)69-55)38-27-29-41-49(33-38)67(8,9)62-60(41)63-59(43-21-13-17-25-54(43)70-63)58-40-19-11-14-22-46(40)66(6,7)61(58)62/h7-47H,1-6H3;5-50H,1-4H3;10-35H,1-9H3.
What are the key properties of CID 165073039?
CID 165073039 has a molecular weight of 3206.02 g/mol, XLogP of 63.05, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165073039 is sourced from PubChem (CID 165073039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).