N-(4-methylphenyl)-20'-[3-(3-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5'-amine

C100H64N2 — CID 137494900

About N-(4-methylphenyl)-20'-[3-(3-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5'-amine

N-(4-methylphenyl)-20'-[3-(3-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5'-amine (PubChem CID 137494900) has the molecular formula C100H64N2 and a molecular weight of 1293.63 g/mol. Its IUPAC name is N-(4-methylphenyl)-20'-[3-(3-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5'-amine.

Molecular Properties

• Compound Name: N-(4-methylphenyl)-20'-[3-(3-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5'-amine
• PubChem CID: 137494900
• Molecular Formula: C100H64N2
• Molecular Weight: 1293.63 g/mol
• Exact Mass: 1292.51
• IUPAC Name: N-(4-methylphenyl)-20'-[3-(3-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5'-amine
• SMILES: Cc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2ccc3cc(-c5cccc(N(c6cccc(C)c6)c6ccc7c8c(c9ccccc9c7c6)-c6ccc7ccccc7c6C86c7ccccc7-c7ccccc76)c5)ccc3c2C42c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C100H64N2/c1-61-42-47-68(48-43-61)101(67-25-4-3-5-26-67)71-49-54-83-87(59-71)75-30-8-11-37-82(75)94-86-53-46-66-57-65(45-51-74(66)96(86)100(98(83)94)91-40-18-14-34-79(91)80-35-15-19-41-92(80)100)64-24-21-28-70(58-64)102(69-27-20-22-62(2)56-69)72-50-55-84-88(60-72)76-31-9-10-36-81(76)93-85-52-44-63-23-6-7-29-73(63)95(85)99(97(84)93)89-38-16-12-32-77(89)78-33-13-17-39-90(78)99/h3-60H,1-2H3
• InChIKey: UKSBAZLCMBIUJC-UHFFFAOYSA-N
• XLogP: 26.52
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1293.63
LogP ≤ 5	26.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-20'-[3-(3-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5'-amine?

The IUPAC name of N-(4-methylphenyl)-20'-[3-(3-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5'-amine (CID 137494900) is N-(4-methylphenyl)-20'-[3-(3-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5'-amine.

What is the SMILES notation for N-(4-methylphenyl)-20'-[3-(3-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5'-amine?

The canonical SMILES for N-(4-methylphenyl)-20'-[3-(3-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5'-amine is Cc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2ccc3cc(-c5cccc(N(c6cccc(C)c6)c6ccc7c8c(c9ccccc9c7c6)-c6ccc7ccccc7c6C86c7ccccc7-c7ccccc76)c5)ccc3c2C42c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of N-(4-methylphenyl)-20'-[3-(3-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5'-amine?

The InChIKey is UKSBAZLCMBIUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H64N2/c1-61-42-47-68(48-43-61)101(67-25-4-3-5-26-67)71-49-54-83-87(59-71)75-30-8-11-37-82(75)94-86-53-46-66-57-65(45-51-74(66)96(86)100(98(83)94)91-40-18-14-34-79(91)80-35-15-19-41-92(80)100)64-24-21-28-70(58-64)102(69-27-20-22-62(2)56-69)72-50-55-84-88(60-72)76-31-9-10-36-81(76)93-85-52-44-63-23-6-7-29-73(63)95(85)99(97(84)93)89-38-16-12-32-77(89)78-33-13-17-39-90(78)99/h3-60H,1-2H3.

What are the key properties of N-(4-methylphenyl)-20'-[3-(3-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5'-amine?

N-(4-methylphenyl)-20'-[3-(3-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5'-amine has a molecular weight of 1293.63 g/mol, XLogP of 26.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methylphenyl)-20'-[3-(3-methyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5'-amine is sourced from PubChem (CID 137494900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).