N-(4-methylphenyl)-19'-[3-methyl-5-(N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine

C100H64N2 — CID 137493781

About N-(4-methylphenyl)-19'-[3-methyl-5-(N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine

N-(4-methylphenyl)-19'-[3-methyl-5-(N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine (PubChem CID 137493781) has the molecular formula C100H64N2 and a molecular weight of 1293.63 g/mol. Its IUPAC name is N-(4-methylphenyl)-19'-[3-methyl-5-(N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine.

Molecular Properties

• Compound Name: N-(4-methylphenyl)-19'-[3-methyl-5-(N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine
• PubChem CID: 137493781
• Molecular Formula: C100H64N2
• Molecular Weight: 1293.63 g/mol
• Exact Mass: 1292.51
• IUPAC Name: N-(4-methylphenyl)-19'-[3-methyl-5-(N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine
• SMILES: Cc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2cc3cc(-c5cc(C)cc(N(c6ccccc6)c6ccc7c8c(c9ccccc9c7c6)-c6cc7ccccc7cc6C86c7ccccc7-c7ccccc76)c5)ccc3cc2C42c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C100H64N2/c1-61-41-45-71(46-42-61)101(69-25-5-3-6-26-69)72-47-49-83-85(59-72)76-30-12-14-36-82(76)96-88-56-68-53-65(43-44-66(68)58-94(88)100(98(83)96)91-39-21-17-33-79(91)80-34-18-22-40-92(80)100)67-51-62(2)52-74(54-67)102(70-27-7-4-8-28-70)73-48-50-84-86(60-73)75-29-11-13-35-81(75)95-87-55-63-23-9-10-24-64(63)57-93(87)99(97(84)95)89-37-19-15-31-77(89)78-32-16-20-38-90(78)99/h3-60H,1-2H3
• InChIKey: ADLLXNFQXLAMCS-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)-19'-[3-methyl-5-(N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine?

The IUPAC name of N-(4-methylphenyl)-19'-[3-methyl-5-(N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine (CID 137493781) is N-(4-methylphenyl)-19'-[3-methyl-5-(N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine.

What is the SMILES notation for N-(4-methylphenyl)-19'-[3-methyl-5-(N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine?

The canonical SMILES for N-(4-methylphenyl)-19'-[3-methyl-5-(N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine is Cc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2cc3cc(-c5cc(C)cc(N(c6ccccc6)c6ccc7c8c(c9ccccc9c7c6)-c6cc7ccccc7cc6C86c7ccccc7-c7ccccc76)c5)ccc3cc2C42c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of N-(4-methylphenyl)-19'-[3-methyl-5-(N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine?

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

What are the key properties of N-(4-methylphenyl)-19'-[3-methyl-5-(N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine?

N-(4-methylphenyl)-19'-[3-methyl-5-(N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-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)-19'-[3-methyl-5-(N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]-5'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine is sourced from PubChem (CID 137493781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).