N-[tert-butyl-(9-ethylcarbazol-3-yl)-[2-(trifluoromethyl)phenyl]imino-λ5-phosphanyl]-N-methylmethanamine

C27H31F3N3P — CID 25318646

IUPACN-[tert-butyl-(9-ethylcarbazol-3-yl)-[2-(trifluoromethyl)phenyl]imino-λ5-phosphanyl]-N-methylmethanamine
SMILESCCn1c2ccccc2c2cc([P@](=Nc3ccccc3C(F)(F)F)(N(C)C)C(C)(C)C)ccc21
InChIInChI=1S/C27H31F3N3P/c1-7-33-24-15-11-8-12-20(24)21-18-19(16-17-25(21)33)34(32(5)6,26(2,3)4)31-23-14-10-9-13-22(23)27(28,29)30/h8-18H,7H2,1-6H3/t34-/m0/s1
InChIKeyNDCLNNUKEQICAU-UMSFTDKQSA-N
MW485.53 g/mol
LogP8.27
Rot. Bonds4

About N-[tert-butyl-(9-ethylcarbazol-3-yl)-[2-(trifluoromethyl)phenyl]imino-λ5-phosphanyl]-N-methylmethanamine

N-[tert-butyl-(9-ethylcarbazol-3-yl)-[2-(trifluoromethyl)phenyl]imino-λ5-phosphanyl]-N-methylmethanamine (PubChem CID 25318646) has the molecular formula C27H31F3N3P and a molecular weight of 485.53 g/mol. Its IUPAC name is N-[tert-butyl-(9-ethylcarbazol-3-yl)-[2-(trifluoromethyl)phenyl]imino-λ5-phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[tert-butyl-(9-ethylcarbazol-3-yl)-[2-(trifluoromethyl)phenyl]imino-λ5-phosphanyl]-N-methylmethanamine
PubChem CID25318646
Molecular FormulaC27H31F3N3P
Molecular Weight485.53 g/mol
Exact Mass485.22
IUPAC NameN-[tert-butyl-(9-ethylcarbazol-3-yl)-[2-(trifluoromethyl)phenyl]imino-λ5-phosphanyl]-N-methylmethanamine
SMILESCCn1c2ccccc2c2cc([P@](=Nc3ccccc3C(F)(F)F)(N(C)C)C(C)(C)C)ccc21
InChIInChI=1S/C27H31F3N3P/c1-7-33-24-15-11-8-12-20(24)21-18-19(16-17-25(21)33)34(32(5)6,26(2,3)4)31-23-14-10-9-13-22(23)27(28,29)30/h8-18H,7H2,1-6H3/t34-/m0/s1
InChIKeyNDCLNNUKEQICAU-UMSFTDKQSA-N
XLogP8.27
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.53
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl-(9-ethylcarbazol-3-yl)-[2-(trifluoromethyl)phenyl]imino-λ5-phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[tert-butyl-(9-ethylcarbazol-3-yl)-[2-(trifluoromethyl)phenyl]imino-λ5-phosphanyl]-N-methylmethanamine (CID 25318646) is N-[tert-butyl-(9-ethylcarbazol-3-yl)-[2-(trifluoromethyl)phenyl]imino-λ5-phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[tert-butyl-(9-ethylcarbazol-3-yl)-[2-(trifluoromethyl)phenyl]imino-λ5-phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[tert-butyl-(9-ethylcarbazol-3-yl)-[2-(trifluoromethyl)phenyl]imino-λ5-phosphanyl]-N-methylmethanamine is CCn1c2ccccc2c2cc([P@](=Nc3ccccc3C(F)(F)F)(N(C)C)C(C)(C)C)ccc21.
What is the InChIKey of N-[tert-butyl-(9-ethylcarbazol-3-yl)-[2-(trifluoromethyl)phenyl]imino-λ5-phosphanyl]-N-methylmethanamine?
The InChIKey is NDCLNNUKEQICAU-UMSFTDKQSA-N. The full InChI is InChI=1S/C27H31F3N3P/c1-7-33-24-15-11-8-12-20(24)21-18-19(16-17-25(21)33)34(32(5)6,26(2,3)4)31-23-14-10-9-13-22(23)27(28,29)30/h8-18H,7H2,1-6H3/t34-/m0/s1.
What are the key properties of N-[tert-butyl-(9-ethylcarbazol-3-yl)-[2-(trifluoromethyl)phenyl]imino-λ5-phosphanyl]-N-methylmethanamine?
N-[tert-butyl-(9-ethylcarbazol-3-yl)-[2-(trifluoromethyl)phenyl]imino-λ5-phosphanyl]-N-methylmethanamine has a molecular weight of 485.53 g/mol, XLogP of 8.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl-(9-ethylcarbazol-3-yl)-[2-(trifluoromethyl)phenyl]imino-λ5-phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 25318646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).