N,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine

C35H32NP — CID 91745838

IUPACN,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine
SMILESCCN(CC)c1ccc2c(c1)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-2
InChIInChI=1S/C35H32NP/c1-3-36(4-2)27-24-25-32-31-22-14-15-23-33(31)35(34(32)26-27)37(28-16-8-5-9-17-28,29-18-10-6-11-19-29)30-20-12-7-13-21-30/h5-26H,3-4H2,1-2H3
InChIKeyHRJARWJOQQDKBX-UHFFFAOYSA-N
MW497.62 g/mol
LogP7.08
Rot. Bonds6

About N,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine

N,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine (PubChem CID 91745838) has the molecular formula C35H32NP and a molecular weight of 497.62 g/mol. Its IUPAC name is N,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine.

Molecular Properties

Compound NameN,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine
PubChem CID91745838
Molecular FormulaC35H32NP
Molecular Weight497.62 g/mol
Exact Mass497.23
IUPAC NameN,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine
SMILESCCN(CC)c1ccc2c(c1)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-2
InChIInChI=1S/C35H32NP/c1-3-36(4-2)27-24-25-32-31-22-14-15-23-33(31)35(34(32)26-27)37(28-16-8-5-9-17-28,29-18-10-6-11-19-29)30-20-12-7-13-21-30/h5-26H,3-4H2,1-2H3
InChIKeyHRJARWJOQQDKBX-UHFFFAOYSA-N
XLogP7.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylaniline
CID 7061
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CID 69313406
3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide
CID 173333229
ethyl-fluoren-9-ylidene-diphenyl-λ5-phosphane
CID 10959810
N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline
CID 134935584
4-[2-[[4-(diethylamino)-2-methylphenyl]-diphenylmethyl]phenyl]-N,N-diethyl-3-methylaniline
CID 68854577
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-diethylaniline;hydrazine
CID 161037544
2-[2-(diethylamino)phenyl]-N,N-diethylaniline
CID 158417392
CID 161146216
CID 161146216
dichloromethane;N,N-diethylaniline
CID 157472052

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine?
The IUPAC name of N,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine (CID 91745838) is N,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine.
What is the SMILES notation for N,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine?
The canonical SMILES for N,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine is CCN(CC)c1ccc2c(c1)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-2.
What is the InChIKey of N,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine?
The InChIKey is HRJARWJOQQDKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32NP/c1-3-36(4-2)27-24-25-32-31-22-14-15-23-33(31)35(34(32)26-27)37(28-16-8-5-9-17-28,29-18-10-6-11-19-29)30-20-12-7-13-21-30/h5-26H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine?
N,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine has a molecular weight of 497.62 g/mol, XLogP of 7.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine is sourced from PubChem (CID 91745838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).