N-(4-fluorophenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-1-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine

C43H37FN2 — CID 70886391

IUPACN-(4-fluorophenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-1-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine
SMILESCC1(C)c2cccc3c2N2c4c1cccc4C(C)(C)c1cc(N(c4ccc(F)cc4)c4cccc5ccccc45)cc(c12)C3(C)C
InChIInChI=1S/C43H37FN2/c1-41(2)31-15-10-17-33-38(31)46-39-32(41)16-11-18-34(39)43(5,6)36-25-29(24-35(40(36)46)42(33,3)4)45(28-22-20-27(44)21-23-28)37-19-9-13-26-12-7-8-14-30(26)37/h7-25H,1-6H3
InChIKeyOXZYLVCXFCQLEC-UHFFFAOYSA-N
MW600.78 g/mol
LogP11.84
Rot. Bonds3

About N-(4-fluorophenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-1-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine

N-(4-fluorophenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-1-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine (PubChem CID 70886391) has the molecular formula C43H37FN2 and a molecular weight of 600.78 g/mol. Its IUPAC name is N-(4-fluorophenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-1-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-1-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine
PubChem CID70886391
Molecular FormulaC43H37FN2
Molecular Weight600.78 g/mol
Exact Mass600.29
IUPAC NameN-(4-fluorophenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-1-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine
SMILESCC1(C)c2cccc3c2N2c4c1cccc4C(C)(C)c1cc(N(c4ccc(F)cc4)c4cccc5ccccc45)cc(c12)C3(C)C
InChIInChI=1S/C43H37FN2/c1-41(2)31-15-10-17-33-38(31)46-39-32(41)16-11-18-34(39)43(5,6)36-25-29(24-35(40(36)46)42(33,3)4)45(28-22-20-27(44)21-23-28)37-19-9-13-26-12-7-8-14-30(26)37/h7-25H,1-6H3
InChIKeyOXZYLVCXFCQLEC-UHFFFAOYSA-N
XLogP11.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.78
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-fluorophenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-1-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-1-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine?
The IUPAC name of N-(4-fluorophenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-1-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine (CID 70886391) is N-(4-fluorophenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-1-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine.
What is the SMILES notation for N-(4-fluorophenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-1-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine?
The canonical SMILES for N-(4-fluorophenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-1-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine is CC1(C)c2cccc3c2N2c4c1cccc4C(C)(C)c1cc(N(c4ccc(F)cc4)c4cccc5ccccc45)cc(c12)C3(C)C.
What is the InChIKey of N-(4-fluorophenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-1-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine?
The InChIKey is OXZYLVCXFCQLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37FN2/c1-41(2)31-15-10-17-33-38(31)46-39-32(41)16-11-18-34(39)43(5,6)36-25-29(24-35(40(36)46)42(33,3)4)45(28-22-20-27(44)21-23-28)37-19-9-13-26-12-7-8-14-30(26)37/h7-25H,1-6H3.
What are the key properties of N-(4-fluorophenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-1-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine?
N-(4-fluorophenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-1-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine has a molecular weight of 600.78 g/mol, XLogP of 11.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-1-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine is sourced from PubChem (CID 70886391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).