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

C41H54N2 — CID 144690372

IUPAC7-carbazol-9-yl-9,9-dihexylfluoren-2-amine;ethane
SMILESCC.CC.CCCCCCC1(CCCCCC)c2cc(N)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C37H42N2.2C2H6/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;2*1-2/h9-12,15-22,25-26H,3-8,13-14,23-24,38H2,1-2H3;2*1-2H3
InChIKeyRJYJJLBXSICISL-UHFFFAOYSA-N
MW574.90 g/mol
LogP12.63
Rot. Bonds11

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

7-carbazol-9-yl-9,9-dihexylfluoren-2-amine;ethane (PubChem CID 144690372) has the molecular formula C41H54N2 and a molecular weight of 574.90 g/mol. Its IUPAC name is 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine;ethane.

Molecular Properties

Compound Name7-carbazol-9-yl-9,9-dihexylfluoren-2-amine;ethane
PubChem CID144690372
Molecular FormulaC41H54N2
Molecular Weight574.90 g/mol
Exact Mass574.43
IUPAC Name7-carbazol-9-yl-9,9-dihexylfluoren-2-amine;ethane
SMILESCC.CC.CCCCCCC1(CCCCCC)c2cc(N)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C37H42N2.2C2H6/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;2*1-2/h9-12,15-22,25-26H,3-8,13-14,23-24,38H2,1-2H3;2*1-2H3
InChIKeyRJYJJLBXSICISL-UHFFFAOYSA-N
XLogP12.63
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.90
LogP ≤ 512.63
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'}

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Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine;ethane?
The IUPAC name of 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine;ethane (CID 144690372) is 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine;ethane.
What is the SMILES notation for 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine;ethane?
The canonical SMILES for 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine;ethane is CC.CC.CCCCCCC1(CCCCCC)c2cc(N)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine;ethane?
The InChIKey is RJYJJLBXSICISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N2.2C2H6/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;2*1-2/h9-12,15-22,25-26H,3-8,13-14,23-24,38H2,1-2H3;2*1-2H3.
What are the key properties of 7-carbazol-9-yl-9,9-dihexylfluoren-2-amine;ethane?
7-carbazol-9-yl-9,9-dihexylfluoren-2-amine;ethane has a molecular weight of 574.90 g/mol, XLogP of 12.63, 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;ethane is sourced from PubChem (CID 144690372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).