4,8,15,18,18,27,27,33,33,42,42,45-dodecamethyl-24-N,24-N,36-N,36-N-tetrakis(4-methylphenyl)-30-oxa-1,11-diaza-8-germatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine

C86H78GeN4O — CID 140848795

IUPAC4,8,15,18,18,27,27,33,33,42,42,45-dodecamethyl-24-N,24-N,36-N,36-N-tetrakis(4-methylphenyl)-30-oxa-1,11-diaza-8-germatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2c4c5c6c(c2-3)C(C)(C)c2cc(C)ccc2N6c2cc(C)cc3c2[Ge]5(C)c2c(c5c(c6c2N3c2ccc(C)cc2C6(C)C)-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2C5(C)C)O4)cc1
InChIInChI=1S/C86H78GeN4O/c1-47-17-27-54(28-18-47)88(55-29-19-48(2)20-30-55)58-35-37-60-62(45-58)83(8,9)74-70(60)72-79-77-81(74)92-82-75-71(61-38-36-59(46-63(61)84(75,10)11)89(56-31-21-49(3)22-32-56)57-33-23-50(4)24-34-57)73-80-78(82)87(77,16)76-68(90(79)66-39-25-51(5)41-64(66)85(72,12)13)43-53(7)44-69(76)91(80)67-40-26-52(6)42-65(67)86(73,14)15/h17-46H,1-16H3
InChIKeyLZPMFQJVDQBSAD-UHFFFAOYSA-N
MW1256.21 g/mol
LogP21.45
Rot. Bonds6

About 4,8,15,18,18,27,27,33,33,42,42,45-dodecamethyl-24-N,24-N,36-N,36-N-tetrakis(4-methylphenyl)-30-oxa-1,11-diaza-8-germatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine

4,8,15,18,18,27,27,33,33,42,42,45-dodecamethyl-24-N,24-N,36-N,36-N-tetrakis(4-methylphenyl)-30-oxa-1,11-diaza-8-germatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine (PubChem CID 140848795) has the molecular formula C86H78GeN4O and a molecular weight of 1256.21 g/mol. Its IUPAC name is 4,8,15,18,18,27,27,33,33,42,42,45-dodecamethyl-24-N,24-N,36-N,36-N-tetrakis(4-methylphenyl)-30-oxa-1,11-diaza-8-germatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine.

Molecular Properties

Compound Name4,8,15,18,18,27,27,33,33,42,42,45-dodecamethyl-24-N,24-N,36-N,36-N-tetrakis(4-methylphenyl)-30-oxa-1,11-diaza-8-germatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine
PubChem CID140848795
Molecular FormulaC86H78GeN4O
Molecular Weight1256.21 g/mol
Exact Mass1256.54
IUPAC Name4,8,15,18,18,27,27,33,33,42,42,45-dodecamethyl-24-N,24-N,36-N,36-N-tetrakis(4-methylphenyl)-30-oxa-1,11-diaza-8-germatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2c4c5c6c(c2-3)C(C)(C)c2cc(C)ccc2N6c2cc(C)cc3c2[Ge]5(C)c2c(c5c(c6c2N3c2ccc(C)cc2C6(C)C)-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2C5(C)C)O4)cc1
InChIInChI=1S/C86H78GeN4O/c1-47-17-27-54(28-18-47)88(55-29-19-48(2)20-30-55)58-35-37-60-62(45-58)83(8,9)74-70(60)72-79-77-81(74)92-82-75-71(61-38-36-59(46-63(61)84(75,10)11)89(56-31-21-49(3)22-32-56)57-33-23-50(4)24-34-57)73-80-78(82)87(77,16)76-68(90(79)66-39-25-51(5)41-64(66)85(72,12)13)43-53(7)44-69(76)91(80)67-40-26-52(6)42-65(67)86(73,14)15/h17-46H,1-16H3
InChIKeyLZPMFQJVDQBSAD-UHFFFAOYSA-N
XLogP21.45
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001256.21
LogP ≤ 521.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,8,15,18,18,27,27,33,33,42,42,45-dodecamethyl-24-N,24-N,36-N,36-N-tetrakis(4-methylphenyl)-30-oxa-1,11-diaza-8-germatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine with MolForge

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Related Compounds

4,15,18,18,27,27,33,33,42,42,45-undecamethyl-24-N,24-N-bis(4-methylphenyl)-36-N,36-N-diphenyl-30-oxa-1,11-diaza-8-phosphatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine
CID 134317538
5,5,18,31,31-pentamethyl-8-N,8-N,28-N,28-N,15,21-hexakis(4-methylphenyl)-1-phenyl-36-oxa-15,21-diaza-1-germadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16,18,20(35),22(34),23,25(30),26,28,32-pentadecaene-8,28-diamine
CID 140849182
8,8,14,14-tetramethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 70892954
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-dimethylphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 70893135
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 59800971
7,9,9-trimethyl-N,10-diphenyl-N-(4-phenylphenyl)acridin-2-amine
CID 144559423
5-N,11-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,11-N-bis(4-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-5,11-diamine
CID 70885498
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]fluoren-2-amine
CID 58489858
4,5,6,7-tetrachloro-5',5',18',31',31'-pentamethyl-8-N',8-N',28-N',28-N',15',21'-hexakis(4-methylphenyl)spiro[1,3,2λ5-benzodioxabismole-2,1'-36-oxa-15,21-diaza-1λ5-bismadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6(11),7,9,12,16,18,20(35),22(34),23,25(30),26,28,32-pentadecaene]-8',28'-diamine
CID 140848892
N-[4-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-17-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170657044
N-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 70886118
N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226

Frequently Asked Questions

What is the IUPAC name of 4,8,15,18,18,27,27,33,33,42,42,45-dodecamethyl-24-N,24-N,36-N,36-N-tetrakis(4-methylphenyl)-30-oxa-1,11-diaza-8-germatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine?
The IUPAC name of 4,8,15,18,18,27,27,33,33,42,42,45-dodecamethyl-24-N,24-N,36-N,36-N-tetrakis(4-methylphenyl)-30-oxa-1,11-diaza-8-germatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine (CID 140848795) is 4,8,15,18,18,27,27,33,33,42,42,45-dodecamethyl-24-N,24-N,36-N,36-N-tetrakis(4-methylphenyl)-30-oxa-1,11-diaza-8-germatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine.
What is the SMILES notation for 4,8,15,18,18,27,27,33,33,42,42,45-dodecamethyl-24-N,24-N,36-N,36-N-tetrakis(4-methylphenyl)-30-oxa-1,11-diaza-8-germatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine?
The canonical SMILES for 4,8,15,18,18,27,27,33,33,42,42,45-dodecamethyl-24-N,24-N,36-N,36-N-tetrakis(4-methylphenyl)-30-oxa-1,11-diaza-8-germatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2c4c5c6c(c2-3)C(C)(C)c2cc(C)ccc2N6c2cc(C)cc3c2[Ge]5(C)c2c(c5c(c6c2N3c2ccc(C)cc2C6(C)C)-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2C5(C)C)O4)cc1.
What is the InChIKey of 4,8,15,18,18,27,27,33,33,42,42,45-dodecamethyl-24-N,24-N,36-N,36-N-tetrakis(4-methylphenyl)-30-oxa-1,11-diaza-8-germatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine?
The InChIKey is LZPMFQJVDQBSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H78GeN4O/c1-47-17-27-54(28-18-47)88(55-29-19-48(2)20-30-55)58-35-37-60-62(45-58)83(8,9)74-70(60)72-79-77-81(74)92-82-75-71(61-38-36-59(46-63(61)84(75,10)11)89(56-31-21-49(3)22-32-56)57-33-23-50(4)24-34-57)73-80-78(82)87(77,16)76-68(90(79)66-39-25-51(5)41-64(66)85(72,12)13)43-53(7)44-69(76)91(80)67-40-26-52(6)42-65(67)86(73,14)15/h17-46H,1-16H3.
What are the key properties of 4,8,15,18,18,27,27,33,33,42,42,45-dodecamethyl-24-N,24-N,36-N,36-N-tetrakis(4-methylphenyl)-30-oxa-1,11-diaza-8-germatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine?
4,8,15,18,18,27,27,33,33,42,42,45-dodecamethyl-24-N,24-N,36-N,36-N-tetrakis(4-methylphenyl)-30-oxa-1,11-diaza-8-germatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine has a molecular weight of 1256.21 g/mol, XLogP of 21.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,15,18,18,27,27,33,33,42,42,45-dodecamethyl-24-N,24-N,36-N,36-N-tetrakis(4-methylphenyl)-30-oxa-1,11-diaza-8-germatetradecacyclo[29.17.2.02,7.06,11.08,50.09,29.010,19.012,17.020,28.021,26.032,40.034,39.041,49.043,48]pentaconta-2(7),3,5,9,12(17),13,15,19,21(26),22,24,28,31,34(39),35,37,40,43(48),44,46,49-henicosaene-24,36-diamine is sourced from PubChem (CID 140848795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).