9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine

C64H47N — CID 121391863

IUPAC9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5C5=C(CCC=C5)c5ccccc54)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C64H47N/c1-63(2)55-29-13-8-26-52(55)53-40-39-45(41-60(53)63)65(61-34-17-12-21-46(61)42-19-4-3-5-20-42)44-37-35-43(36-38-44)47-28-18-33-59-62(47)54-27-11-16-32-58(54)64(59)56-30-14-9-24-50(56)48-22-6-7-23-49(48)51-25-10-15-31-57(51)64/h3-6,8-22,24-41H,7,23H2,1-2H3
InChIKeyLEUAPRNLHHYRCM-UHFFFAOYSA-N
MW830.09 g/mol
LogP16.73
Rot. Bonds5

About 9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine

9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine (PubChem CID 121391863) has the molecular formula C64H47N and a molecular weight of 830.09 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine
PubChem CID121391863
Molecular FormulaC64H47N
Molecular Weight830.09 g/mol
Exact Mass829.37
IUPAC Name9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5C5=C(CCC=C5)c5ccccc54)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C64H47N/c1-63(2)55-29-13-8-26-52(55)53-40-39-45(41-60(53)63)65(61-34-17-12-21-46(61)42-19-4-3-5-20-42)44-37-35-43(36-38-44)47-28-18-33-59-62(47)54-27-11-16-32-58(54)64(59)56-30-14-9-24-50(56)48-22-6-7-23-49(48)51-25-10-15-31-57(51)64/h3-6,8-22,24-41H,7,23H2,1-2H3
InChIKeyLEUAPRNLHHYRCM-UHFFFAOYSA-N
XLogP16.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.09
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine with MolForge

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Related Compounds

N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 126548607
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 138643316
N-(9,9-dimethylfluoren-2-yl)-2,5'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 154588633
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 129258823
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496
N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 122607124
N-(9,9-dimethylfluoren-2-yl)-4'-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258891
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788412
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 130325443

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine (CID 121391863) is 9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5C5=C(CCC=C5)c5ccccc54)cc3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine?
The InChIKey is LEUAPRNLHHYRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N/c1-63(2)55-29-13-8-26-52(55)53-40-39-45(41-60(53)63)65(61-34-17-12-21-46(61)42-19-4-3-5-20-42)44-37-35-43(36-38-44)47-28-18-33-59-62(47)54-27-11-16-32-58(54)64(59)56-30-14-9-24-50(56)48-22-6-7-23-49(48)51-25-10-15-31-57(51)64/h3-6,8-22,24-41H,7,23H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine?
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine has a molecular weight of 830.09 g/mol, XLogP of 16.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 121391863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).