9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine

C59H45N — CID 121391719

IUPAC9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine
SMILESCC1CC=CC2=C1C1(c3ccccc3-c3ccccc3-c3ccccc31)c1cccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c12
InChIInChI=1S/C59H45N/c1-38-17-15-26-50-56-43(25-16-30-54(56)59(57(38)50)52-28-13-10-22-46(52)44-20-7-8-21-45(44)47-23-11-14-29-53(47)59)39-31-33-41(34-32-39)60(40-18-5-4-6-19-40)42-35-36-49-48-24-9-12-27-51(48)58(2,3)55(49)37-42/h4-16,18-38H,17H2,1-3H3
InChIKeyCHMICEVJVQMOBK-UHFFFAOYSA-N
MW768.02 g/mol
LogP15.47
Rot. Bonds4

About 9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine

9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine (PubChem CID 121391719) has the molecular formula C59H45N and a molecular weight of 768.02 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine
PubChem CID121391719
Molecular FormulaC59H45N
Molecular Weight768.02 g/mol
Exact Mass767.36
IUPAC Name9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine
SMILESCC1CC=CC2=C1C1(c3ccccc3-c3ccccc3-c3ccccc31)c1cccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c12
InChIInChI=1S/C59H45N/c1-38-17-15-26-50-56-43(25-16-30-54(56)59(57(38)50)52-28-13-10-22-46(52)44-20-7-8-21-45(44)47-23-11-14-29-53(47)59)39-31-33-41(34-32-39)60(40-18-5-4-6-19-40)42-35-36-49-48-24-9-12-27-51(48)58(2,3)55(49)37-42/h4-16,18-38H,17H2,1-3H3
InChIKeyCHMICEVJVQMOBK-UHFFFAOYSA-N
XLogP15.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.02
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
CID 145331604
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247477
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 166906531
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166825049
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
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-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529192
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine (CID 121391719) is 9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine is CC1CC=CC2=C1C1(c3ccccc3-c3ccccc3-c3ccccc31)c1cccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c12.
What is the InChIKey of 9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine?
The InChIKey is CHMICEVJVQMOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45N/c1-38-17-15-26-50-56-43(25-16-30-54(56)59(57(38)50)52-28-13-10-22-46(52)44-20-7-8-21-45(44)47-23-11-14-29-53(47)59)39-31-33-41(34-32-39)60(40-18-5-4-6-19-40)42-35-36-49-48-24-9-12-27-51(48)58(2,3)55(49)37-42/h4-16,18-38H,17H2,1-3H3.
What are the key properties of 9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine?
9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine has a molecular weight of 768.02 g/mol, XLogP of 15.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine is sourced from PubChem (CID 121391719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).