N-[4-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-3,5,9,11,13(24),14,16,18,20-nonaen-22-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C58H48N2 — CID 134510237

IUPACN-[4-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-3,5,9,11,13(24),14,16,18,20-nonaen-22-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N4c5ccccc5C5=Cc6cccc7c6C(C6C=CC=CC6C7(C)C)C54)cc3)cc21
InChIInChI=1S/C58H48N2/c1-57(2)50-22-12-9-20-47(50)55-54-39(17-14-23-51(54)57)35-48-46-19-10-13-24-53(46)60(56(48)55)42-31-29-41(30-32-42)59(40-27-25-38(26-28-40)37-15-6-5-7-16-37)43-33-34-45-44-18-8-11-21-49(44)58(3,4)52(45)36-43/h5-36,47,50,55-56H,1-4H3
InChIKeyGVMLWBNEJKXGMF-UHFFFAOYSA-N
MW773.04 g/mol
LogP14.94
Rot. Bonds5

About N-[4-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-3,5,9,11,13(24),14,16,18,20-nonaen-22-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-3,5,9,11,13(24),14,16,18,20-nonaen-22-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 134510237) has the molecular formula C58H48N2 and a molecular weight of 773.04 g/mol. Its IUPAC name is N-[4-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-3,5,9,11,13(24),14,16,18,20-nonaen-22-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-3,5,9,11,13(24),14,16,18,20-nonaen-22-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID134510237
Molecular FormulaC58H48N2
Molecular Weight773.04 g/mol
Exact Mass772.38
IUPAC NameN-[4-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-3,5,9,11,13(24),14,16,18,20-nonaen-22-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N4c5ccccc5C5=Cc6cccc7c6C(C6C=CC=CC6C7(C)C)C54)cc3)cc21
InChIInChI=1S/C58H48N2/c1-57(2)50-22-12-9-20-47(50)55-54-39(17-14-23-51(54)57)35-48-46-19-10-13-24-53(46)60(56(48)55)42-31-29-41(30-32-42)59(40-27-25-38(26-28-40)37-15-6-5-7-16-37)43-33-34-45-44-18-8-11-21-49(44)58(3,4)52(45)36-43/h5-36,47,50,55-56H,1-4H3
InChIKeyGVMLWBNEJKXGMF-UHFFFAOYSA-N
XLogP14.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.04
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-3,5,9,11,13(24),14,16,18,20-nonaen-22-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-3-amine
CID 174252364
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144896810
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
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
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424

Frequently Asked Questions

What is the IUPAC name of N-[4-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-3,5,9,11,13(24),14,16,18,20-nonaen-22-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-3,5,9,11,13(24),14,16,18,20-nonaen-22-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 134510237) is N-[4-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-3,5,9,11,13(24),14,16,18,20-nonaen-22-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-3,5,9,11,13(24),14,16,18,20-nonaen-22-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-3,5,9,11,13(24),14,16,18,20-nonaen-22-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N4c5ccccc5C5=Cc6cccc7c6C(C6C=CC=CC6C7(C)C)C54)cc3)cc21.
What is the InChIKey of N-[4-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-3,5,9,11,13(24),14,16,18,20-nonaen-22-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is GVMLWBNEJKXGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N2/c1-57(2)50-22-12-9-20-47(50)55-54-39(17-14-23-51(54)57)35-48-46-19-10-13-24-53(46)60(56(48)55)42-31-29-41(30-32-42)59(40-27-25-38(26-28-40)37-15-6-5-7-16-37)43-33-34-45-44-18-8-11-21-49(44)58(3,4)52(45)36-43/h5-36,47,50,55-56H,1-4H3.
What are the key properties of N-[4-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-3,5,9,11,13(24),14,16,18,20-nonaen-22-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-3,5,9,11,13(24),14,16,18,20-nonaen-22-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 773.04 g/mol, XLogP of 14.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-3,5,9,11,13(24),14,16,18,20-nonaen-22-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 134510237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).