7-carbazol-9-yl-9,9-dihexylfluoren-2-amine

C37H42N2 — CID 144690373

IUPAC7-carbazol-9-yl-9,9-dihexylfluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2cc(N)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C37H42N2/c1-3-5-7-13-23-37(24-14-8-6-4-2)33-25-27(38)19-21-29(33)30-22-20-28(26-34(30)37)39-35-17-11-9-15-31(35)32-16-10-12-18-36(32)39/h9-12,15-22,25-26H,3-8,13-14,23-24,38H2,1-2H3
InChIKeyCDCGXVDLPIKOMJ-UHFFFAOYSA-N
MW514.76 g/mol
LogP10.57
Rot. Bonds11

About 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine

7-carbazol-9-yl-9,9-dihexylfluoren-2-amine (PubChem CID 144690373) has the molecular formula C37H42N2 and a molecular weight of 514.76 g/mol. Its IUPAC name is 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine.

Molecular Properties

Compound Name7-carbazol-9-yl-9,9-dihexylfluoren-2-amine
PubChem CID144690373
Molecular FormulaC37H42N2
Molecular Weight514.76 g/mol
Exact Mass514.33
IUPAC Name7-carbazol-9-yl-9,9-dihexylfluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2cc(N)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C37H42N2/c1-3-5-7-13-23-37(24-14-8-6-4-2)33-25-27(38)19-21-29(33)30-22-20-28(26-34(30)37)39-35-17-11-9-15-31(35)32-16-10-12-18-36(32)39/h9-12,15-22,25-26H,3-8,13-14,23-24,38H2,1-2H3
InChIKeyCDCGXVDLPIKOMJ-UHFFFAOYSA-N
XLogP10.57
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.76
LogP ≤ 510.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-carbazol-9-yl-9,9-dihexylfluoren-2-amine;ethane
CID 144690372
9-[7-[2-[9,9-dibutyl-7-[2-(7-carbazol-9-yl-9,9-dihexylfluoren-2-yl)ethynyl]fluoren-2-yl]ethynyl]-9,9-dihexylfluoren-2-yl]carbazole
CID 122203380
7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene
CID 163812399
9-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]carbazole
CID 11850072
9-[4-[(E)-2-[7-[7-[7-[7-[7-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]ethenyl]phenyl]carbazole
CID 164784808
2-(4-tert-butylphenyl)-5-[4-[7-(7-carbazol-9-yl-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]-1,3,4-oxadiazole
CID 102451900
9-[4-[(E)-3-[7-[(E)-4-(4-carbazol-9-ylphenyl)-2-methylbut-3-en-2-yl]-9,9-dihexylfluoren-2-yl]-3-methylbut-1-enyl]phenyl]carbazole
CID 167093420
9-[5-[7-(5-carbazol-9-ylthiophen-2-yl)-9,9-dihexylfluoren-2-yl]thiophen-2-yl]carbazole
CID 102154441
(4-methylphenyl)-[4-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-phenyl-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane
CID 123637096
N-[4-(6,7-dimethyl-9,9-dioctylfluoren-2-yl)phenyl]-4-methyl-N-[4-[9-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-2-yl]phenyl]aniline
CID 177287476
9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 90085878
9-[3-[7-(3-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;9-[3-[7-(3-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]carbazole;9-[3-[7'-(3-carbazol-9-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-yl]phenyl]carbazole;9-[3-[7'-(3-carbazol-9-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole
CID 162089462

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine?
The IUPAC name of 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine (CID 144690373) is 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine.
What is the SMILES notation for 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine?
The canonical SMILES for 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine is CCCCCCC1(CCCCCC)c2cc(N)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine?
The InChIKey is CDCGXVDLPIKOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N2/c1-3-5-7-13-23-37(24-14-8-6-4-2)33-25-27(38)19-21-29(33)30-22-20-28(26-34(30)37)39-35-17-11-9-15-31(35)32-16-10-12-18-36(32)39/h9-12,15-22,25-26H,3-8,13-14,23-24,38H2,1-2H3.
What are the key properties of 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine?
7-carbazol-9-yl-9,9-dihexylfluoren-2-amine has a molecular weight of 514.76 g/mol, XLogP of 10.57, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine is sourced from PubChem (CID 144690373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).