1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene;14-(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methoxy-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline

C150H97F3N8O2 — CID 158332957

About 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene;14-(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methoxy-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline

1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene;14-(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methoxy-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline (PubChem CID 158332957) has the molecular formula C150H97F3N8O2 and a molecular weight of 2100.47 g/mol. Its IUPAC name is 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene;14-(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methoxy-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene;14-(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methoxy-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
• PubChem CID: 158332957
• Molecular Formula: C150H97F3N8O2
• Molecular Weight: 2100.47 g/mol
• Exact Mass: 2098.77
• IUPAC Name: 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene;14-(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methoxy-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
• SMILES: CC(C)(C)c1ccc(-c2cc3c4cc5ccccc5cc4n4c5cc6ccccc6cc5c(c2)c34)cc1.[C-]#[N+]/C(C#N)=C1\c2cc(OC)ccc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1cc(OC(F)(F)F)ccc1-3.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.c1ccc2cc3c(cc2c1)c1cccc2c4cc5ccccc5cc4n3c12
• InChI: InChI=1S/C60H44N2.C36H27N.C28H11F3N4O2.C26H15N/c1-5-13-45(14-6-1)48-21-23-49(24-22-48)52-29-39-56(40-30-52)61(55-19-11-4-12-20-55)57-41-31-53(32-42-57)54-33-43-60(44-34-54)62(58-35-25-50(26-36-58)46-15-7-2-8-16-46)59-37-27-51(28-38-59)47-17-9-3-10-18-47;1-36(2,3)28-14-12-22(13-15-28)27-18-31-29-16-23-8-4-6-10-25(23)20-33(29)37-34-21-26-11-7-5-9-24(26)17-30(34)32(19-27)35(31)37;1-34-24(12-32)26-20-8-14(36-3)4-6-16(20)18-10-19-17-7-5-15(37-28(29,30)31)9-21(17)27(25(13-33)35-2)23(19)11-22(18)26;1-3-8-18-14-24-22(12-16(18)6-1)20-10-5-11-21-23-13-17-7-2-4-9-19(17)15-25(23)27(24)26(20)21/h1-44H;4-21H,1-3H3;4-11H,3H3;1-15H/b;;26-24+,27-25-
• InChIKey: GQFQLTGZVOZDST-AWBVYRJASA-N
• XLogP: 41.17
• TPSA: 90.06 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2100.47
LogP ≤ 5	41.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene;14-(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methoxy-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline?

The IUPAC name of 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene;14-(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methoxy-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline (CID 158332957) is 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene;14-(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methoxy-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline.

What is the SMILES notation for 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene;14-(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methoxy-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline?

The canonical SMILES for 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene;14-(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methoxy-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline is CC(C)(C)c1ccc(-c2cc3c4cc5ccccc5cc4n4c5cc6ccccc6cc5c(c2)c34)cc1.[C-]#[N+]/C(C#N)=C1\c2cc(OC)ccc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1cc(OC(F)(F)F)ccc1-3.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.c1ccc2cc3c(cc2c1)c1cccc2c4cc5ccccc5cc4n3c12.

What is the InChIKey of 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene;14-(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methoxy-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline?

The InChIKey is GQFQLTGZVOZDST-AWBVYRJASA-N. The full InChI is InChI=1S/C60H44N2.C36H27N.C28H11F3N4O2.C26H15N/c1-5-13-45(14-6-1)48-21-23-49(24-22-48)52-29-39-56(40-30-52)61(55-19-11-4-12-20-55)57-41-31-53(32-42-57)54-33-43-60(44-34-54)62(58-35-25-50(26-36-58)46-15-7-2-8-16-46)59-37-27-51(28-38-59)47-17-9-3-10-18-47;1-36(2,3)28-14-12-22(13-15-28)27-18-31-29-16-23-8-4-6-10-25(23)20-33(29)37-34-21-26-11-7-5-9-24(26)17-30(34)32(19-27)35(31)37;1-34-24(12-32)26-20-8-14(36-3)4-6-16(20)18-10-19-17-7-5-15(37-28(29,30)31)9-21(17)27(25(13-33)35-2)23(19)11-22(18)26;1-3-8-18-14-24-22(12-16(18)6-1)20-10-5-11-21-23-13-17-7-2-4-9-19(17)15-25(23)27(24)26(20)21/h1-44H;4-21H,1-3H3;4-11H,3H3;1-15H/b;;26-24+,27-25-;.

What are the key properties of 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene;14-(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methoxy-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline?

1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene;14-(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methoxy-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline has a molecular weight of 2100.47 g/mol, XLogP of 41.17, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene;14-(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methoxy-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 158332957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).