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

C83H71N4OP — CID 134317538

About 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

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 (PubChem CID 134317538) has the molecular formula C83H71N4OP and a molecular weight of 1171.48 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 134317538
• Molecular Formula: C83H71N4OP
• Molecular Weight: 1171.48 g/mol
• Exact Mass: 1170.54
• IUPAC Name: 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
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2c4c5c6c(c2-3)C(C)(C)c2cc(C)ccc2N6c2cc(C)cc3c2P5c2c(c5c(c6c2N3c2ccc(C)cc2C6(C)C)-c2ccc(N(c3ccccc3)c3ccccc3)cc2C5(C)C)O4)cc1
• InChI: InChI=1S/C83H71N4OP/c1-46-24-30-53(31-25-46)85(54-32-26-47(2)27-33-54)56-35-37-58-60(45-56)81(8,9)72-68(58)70-74-79-76(72)88-75-71-67(57-36-34-55(44-59(57)80(71,6)7)84(51-20-16-14-17-21-51)52-22-18-15-19-23-52)69-73-78(75)89(79)77-65(86(73)63-38-28-48(3)40-61(63)82(69,10)11)42-50(5)43-66(77)87(74)64-39-29-49(4)41-62(64)83(70,12)13/h14-45H,1-13H3
• InChIKey: LIVZGAKSCSCORY-UHFFFAOYSA-N
• XLogP: 21.49
• TPSA: 22.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1171.48
LogP ≤ 5	21.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2c4c5c6c(c2-3)C(C)(C)c2cc(C)ccc2N6c2cc(C)cc3c2P5c2c(c5c(c6c2N3c2ccc(C)cc2C6(C)C)-c2ccc(N(c3ccccc3)c3ccccc3)cc2C5(C)C)O4)cc1.

What is the InChIKey of 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?

The InChIKey is LIVZGAKSCSCORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H71N4OP/c1-46-24-30-53(31-25-46)85(54-32-26-47(2)27-33-54)56-35-37-58-60(45-56)81(8,9)72-68(58)70-74-79-76(72)88-75-71-67(57-36-34-55(44-59(57)80(71,6)7)84(51-20-16-14-17-21-51)52-22-18-15-19-23-52)69-73-78(75)89(79)77-65(86(73)63-38-28-48(3)40-61(63)82(69,10)11)42-50(5)43-66(77)87(74)64-39-29-49(4)41-62(64)83(70,12)13/h14-45H,1-13H3.

What are the key properties of 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?

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 has a molecular weight of 1171.48 g/mol, XLogP of 21.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 134317538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).