N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine

C61H47N — CID 121391816

IUPACN-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C61H47N/c1-59(2)52-29-15-11-27-48(52)50-38-41(35-37-53(50)59)62(42-34-36-49-47-26-10-14-28-51(47)60(3,4)57(49)39-42)58-33-19-18-32-56(58)61(40-20-6-5-7-21-40)54-30-16-12-24-45(54)43-22-8-9-23-44(43)46-25-13-17-31-55(46)61/h5-39H,1-4H3
InChIKeyLUTMDYSDJNKWQS-UHFFFAOYSA-N
MW794.05 g/mol
LogP15.80
Rot. Bonds5

About N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine

N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine (PubChem CID 121391816) has the molecular formula C61H47N and a molecular weight of 794.05 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine
PubChem CID121391816
Molecular FormulaC61H47N
Molecular Weight794.05 g/mol
Exact Mass793.37
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C61H47N/c1-59(2)52-29-15-11-27-48(52)50-38-41(35-37-53(50)59)62(42-34-36-49-47-26-10-14-28-51(47)60(3,4)57(49)39-42)58-33-19-18-32-56(58)61(40-20-6-5-7-21-40)54-30-16-12-24-45(54)43-22-8-9-23-44(43)46-25-13-17-31-55(46)61/h5-39H,1-4H3
InChIKeyLUTMDYSDJNKWQS-UHFFFAOYSA-N
XLogP15.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.05
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 121423710
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-3-amine
CID 121423487
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 134487972
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158470030
bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161294273
N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480618
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480849
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 162085684
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022061
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine
CID 135193179
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine
CID 160677650

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine (CID 121391816) is N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccccc4-c4ccccc43)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine?
The InChIKey is LUTMDYSDJNKWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47N/c1-59(2)52-29-15-11-27-48(52)50-38-41(35-37-53(50)59)62(42-34-36-49-47-26-10-14-28-51(47)60(3,4)57(49)39-42)58-33-19-18-32-56(58)61(40-20-6-5-7-21-40)54-30-16-12-24-45(54)43-22-8-9-23-44(43)46-25-13-17-31-55(46)61/h5-39H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine?
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine has a molecular weight of 794.05 g/mol, XLogP of 15.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 121391816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).