14,14-dimethyl-4-phenanthren-9-ylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-5-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-(2,4,6-trimethylphenyl)spiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one

C175H126N4O4 — CID 164962127

About 14,14-dimethyl-4-phenanthren-9-ylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-5-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-(2,4,6-trimethylphenyl)spiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one

14,14-dimethyl-4-phenanthren-9-ylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-5-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-(2,4,6-trimethylphenyl)spiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one (PubChem CID 164962127) has the molecular formula C175H126N4O4 and a molecular weight of 2348.96 g/mol. Its IUPAC name is 14,14-dimethyl-4-phenanthren-9-ylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-5-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-(2,4,6-trimethylphenyl)spiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one.

Molecular Properties

• Compound Name: 14,14-dimethyl-4-phenanthren-9-ylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-5-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-(2,4,6-trimethylphenyl)spiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one
• PubChem CID: 164962127
• Molecular Formula: C175H126N4O4
• Molecular Weight: 2348.96 g/mol
• Exact Mass: 2346.98
• IUPAC Name: 14,14-dimethyl-4-phenanthren-9-ylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-5-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-(2,4,6-trimethylphenyl)spiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one
• SMILES: CC1(C)c2ccccc2N2c3cc(-c4cc5ccccc5c5ccccc45)ccc3C3(c4ccccc4C(=O)c4ccccc43)c3cccc1c32.CC1(C)c2ccccc2N2c3cc(-c4ccccc4)ccc3C3(c4ccccc4C(=O)c4ccccc43)c3cccc1c32.CC1(C)c2ccccc2N2c3ccc(-c4ccccc4)cc3C3(c4ccccc4C(=O)c4ccccc43)c3cccc1c32.Cc1cc(C)c(-c2ccc3c(c2)N2c4ccccc4C(C)(C)c4cccc(c42)C32c3ccccc3C(=O)c3ccccc32)c(C)c1
• InChI: InChI=1S/C49H33NO.C44H35NO.2C41H29NO/c1-48(2)40-22-11-12-25-44(40)50-45-29-31(37-28-30-14-3-4-15-32(30)33-16-5-6-17-34(33)37)26-27-41(45)49(43-24-13-23-42(48)46(43)50)38-20-9-7-18-35(38)47(51)36-19-8-10-21-39(36)49;1-26-23-27(2)40(28(3)24-26)29-21-22-35-39(25-29)45-38-20-11-10-17-34(38)43(4,5)36-18-12-19-37(41(36)45)44(35)32-15-8-6-13-30(32)42(46)31-14-7-9-16-33(31)44;1-40(2)32-19-10-11-22-36(32)42-37-25-27(26-13-4-3-5-14-26)23-24-33(37)41(35-21-12-20-34(40)38(35)42)30-17-8-6-15-28(30)39(43)29-16-7-9-18-31(29)41;1-40(2)32-19-10-11-22-36(32)42-37-24-23-27(26-13-4-3-5-14-26)25-35(37)41(34-21-12-20-33(40)38(34)42)30-17-8-6-15-28(30)39(43)29-16-7-9-18-31(29)41/h3-29H,1-2H3;6-25H,1-5H3;2*3-25H,1-2H3
• InChIKey: BZEGHSAOUULIBZ-UHFFFAOYSA-N
• XLogP: 42.04
• TPSA: 81.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2348.96
LogP ≤ 5	42.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-4-phenanthren-9-ylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-5-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-(2,4,6-trimethylphenyl)spiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one?

The IUPAC name of 14,14-dimethyl-4-phenanthren-9-ylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-5-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-(2,4,6-trimethylphenyl)spiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one (CID 164962127) is 14,14-dimethyl-4-phenanthren-9-ylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-5-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-(2,4,6-trimethylphenyl)spiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one.

What is the SMILES notation for 14,14-dimethyl-4-phenanthren-9-ylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-5-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-(2,4,6-trimethylphenyl)spiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one?

The canonical SMILES for 14,14-dimethyl-4-phenanthren-9-ylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-5-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-(2,4,6-trimethylphenyl)spiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one is CC1(C)c2ccccc2N2c3cc(-c4cc5ccccc5c5ccccc45)ccc3C3(c4ccccc4C(=O)c4ccccc43)c3cccc1c32.CC1(C)c2ccccc2N2c3cc(-c4ccccc4)ccc3C3(c4ccccc4C(=O)c4ccccc43)c3cccc1c32.CC1(C)c2ccccc2N2c3ccc(-c4ccccc4)cc3C3(c4ccccc4C(=O)c4ccccc43)c3cccc1c32.Cc1cc(C)c(-c2ccc3c(c2)N2c4ccccc4C(C)(C)c4cccc(c42)C32c3ccccc3C(=O)c3ccccc32)c(C)c1.

What is the InChIKey of 14,14-dimethyl-4-phenanthren-9-ylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-5-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-(2,4,6-trimethylphenyl)spiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one?

The InChIKey is BZEGHSAOUULIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO.C44H35NO.2C41H29NO/c1-48(2)40-22-11-12-25-44(40)50-45-29-31(37-28-30-14-3-4-15-32(30)33-16-5-6-17-34(33)37)26-27-41(45)49(43-24-13-23-42(48)46(43)50)38-20-9-7-18-35(38)47(51)36-19-8-10-21-39(36)49;1-26-23-27(2)40(28(3)24-26)29-21-22-35-39(25-29)45-38-20-11-10-17-34(38)43(4,5)36-18-12-19-37(41(36)45)44(35)32-15-8-6-13-30(32)42(46)31-14-7-9-16-33(31)44;1-40(2)32-19-10-11-22-36(32)42-37-25-27(26-13-4-3-5-14-26)23-24-33(37)41(35-21-12-20-34(40)38(35)42)30-17-8-6-15-28(30)39(43)29-16-7-9-18-31(29)41;1-40(2)32-19-10-11-22-36(32)42-37-24-23-27(26-13-4-3-5-14-26)25-35(37)41(34-21-12-20-33(40)38(34)42)30-17-8-6-15-28(30)39(43)29-16-7-9-18-31(29)41/h3-29H,1-2H3;6-25H,1-5H3;2*3-25H,1-2H3.

What are the key properties of 14,14-dimethyl-4-phenanthren-9-ylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-5-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-(2,4,6-trimethylphenyl)spiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one?

14,14-dimethyl-4-phenanthren-9-ylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-5-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-(2,4,6-trimethylphenyl)spiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one has a molecular weight of 2348.96 g/mol, XLogP of 42.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14-dimethyl-4-phenanthren-9-ylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-5-phenylspiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one;14,14-dimethyl-4-(2,4,6-trimethylphenyl)spiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one is sourced from PubChem (CID 164962127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).