N-[(9'Z,11'Z)-8'-methylidenespiro[fluorene-9,14'-tricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,9,11,15,17-octaene]-3-yl]-14-phenyl-N-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine

C68H48N2 — CID 130271801

About N-[(9'Z,11'Z)-8'-methylidenespiro[fluorene-9,14'-tricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,9,11,15,17-octaene]-3-yl]-14-phenyl-N-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine

N-[(9'Z,11'Z)-8'-methylidenespiro[fluorene-9,14'-tricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,9,11,15,17-octaene]-3-yl]-14-phenyl-N-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine (PubChem CID 130271801) has the molecular formula C68H48N2 and a molecular weight of 893.15 g/mol. Its IUPAC name is N-[(9'Z,11'Z)-8'-methylidenespiro[fluorene-9,14'-tricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,9,11,15,17-octaene]-3-yl]-14-phenyl-N-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine.

Molecular Properties

• Compound Name: N-[(9'Z,11'Z)-8'-methylidenespiro[fluorene-9,14'-tricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,9,11,15,17-octaene]-3-yl]-14-phenyl-N-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
• PubChem CID: 130271801
• Molecular Formula: C68H48N2
• Molecular Weight: 893.15 g/mol
• Exact Mass: 892.38
• IUPAC Name: N-[(9'Z,11'Z)-8'-methylidenespiro[fluorene-9,14'-tricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,9,11,15,17-octaene]-3-yl]-14-phenyl-N-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
• SMILES: C=C1/C=C\C=C/CC2(c3ccccc3-c3ccccc31)c1ccccc1-c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3-c3ccccc3N4c3ccccc3)ccc12
• InChI: InChI=1S/C68H48N2/c1-47-21-5-4-20-44-68(63-33-17-14-30-58(63)55-27-11-10-26-54(47)55)64-34-18-15-31-59(64)61-45-52(40-42-65(61)68)69(51-38-36-49(37-39-51)48-22-6-2-7-23-48)53-41-43-67-62(46-53)57-29-13-12-28-56(57)60-32-16-19-35-66(60)70(67)50-24-8-3-9-25-50/h2-43,45-46H,1,44H2/b20-4-,21-5-
• InChIKey: HNLMMIWXWPQMPR-VVEIRKSESA-N
• XLogP: 18.45
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.15
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(9'Z,11'Z)-8'-methylidenespiro[fluorene-9,14'-tricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,9,11,15,17-octaene]-3-yl]-14-phenyl-N-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?

The IUPAC name of N-[(9'Z,11'Z)-8'-methylidenespiro[fluorene-9,14'-tricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,9,11,15,17-octaene]-3-yl]-14-phenyl-N-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine (CID 130271801) is N-[(9'Z,11'Z)-8'-methylidenespiro[fluorene-9,14'-tricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,9,11,15,17-octaene]-3-yl]-14-phenyl-N-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine.

What is the SMILES notation for N-[(9'Z,11'Z)-8'-methylidenespiro[fluorene-9,14'-tricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,9,11,15,17-octaene]-3-yl]-14-phenyl-N-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?

The canonical SMILES for N-[(9'Z,11'Z)-8'-methylidenespiro[fluorene-9,14'-tricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,9,11,15,17-octaene]-3-yl]-14-phenyl-N-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine is C=C1/C=C\C=C/CC2(c3ccccc3-c3ccccc31)c1ccccc1-c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3-c3ccccc3N4c3ccccc3)ccc12.

What is the InChIKey of N-[(9'Z,11'Z)-8'-methylidenespiro[fluorene-9,14'-tricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,9,11,15,17-octaene]-3-yl]-14-phenyl-N-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?

The InChIKey is HNLMMIWXWPQMPR-VVEIRKSESA-N. The full InChI is InChI=1S/C68H48N2/c1-47-21-5-4-20-44-68(63-33-17-14-30-58(63)55-27-11-10-26-54(47)55)64-34-18-15-31-59(64)61-45-52(40-42-65(61)68)69(51-38-36-49(37-39-51)48-22-6-2-7-23-48)53-41-43-67-62(46-53)57-29-13-12-28-56(57)60-32-16-19-35-66(60)70(67)50-24-8-3-9-25-50/h2-43,45-46H,1,44H2/b20-4-,21-5-.

What are the key properties of N-[(9'Z,11'Z)-8'-methylidenespiro[fluorene-9,14'-tricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,9,11,15,17-octaene]-3-yl]-14-phenyl-N-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?

N-[(9'Z,11'Z)-8'-methylidenespiro[fluorene-9,14'-tricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,9,11,15,17-octaene]-3-yl]-14-phenyl-N-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine has a molecular weight of 893.15 g/mol, XLogP of 18.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(9'Z,11'Z)-8'-methylidenespiro[fluorene-9,14'-tricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,9,11,15,17-octaene]-3-yl]-14-phenyl-N-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine is sourced from PubChem (CID 130271801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).