N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-naphthalen-1-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

C40H33FN2 — CID 70893111

IUPACN-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-naphthalen-1-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
SMILESCC1(C)c2ccccc2N2c3ccc(N(c4ccc(F)cc4)c4cccc5ccccc45)cc3C(C)(C)c3cccc1c32
InChIInChI=1S/C40H33FN2/c1-39(2)31-14-7-8-17-36(31)43-37-24-23-29(25-34(37)40(3,4)33-16-10-15-32(39)38(33)43)42(28-21-19-27(41)20-22-28)35-18-9-12-26-11-5-6-13-30(26)35/h5-25H,1-4H3
InChIKeyGJDASWRKLSDBLF-UHFFFAOYSA-N
MW560.72 g/mol
LogP11.20
Rot. Bonds3

About N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-naphthalen-1-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-naphthalen-1-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 70893111) has the molecular formula C40H33FN2 and a molecular weight of 560.72 g/mol. Its IUPAC name is N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-naphthalen-1-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-naphthalen-1-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
PubChem CID70893111
Molecular FormulaC40H33FN2
Molecular Weight560.72 g/mol
Exact Mass560.26
IUPAC NameN-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-naphthalen-1-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
SMILESCC1(C)c2ccccc2N2c3ccc(N(c4ccc(F)cc4)c4cccc5ccccc45)cc3C(C)(C)c3cccc1c32
InChIInChI=1S/C40H33FN2/c1-39(2)31-14-7-8-17-36(31)43-37-24-23-29(25-34(37)40(3,4)33-16-10-15-32(39)38(33)43)42(28-21-19-27(41)20-22-28)35-18-9-12-26-11-5-6-13-30(26)35/h5-25H,1-4H3
InChIKeyGJDASWRKLSDBLF-UHFFFAOYSA-N
XLogP11.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.72
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-naphthalen-1-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-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-tetramethyl-N-naphthalen-1-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The IUPAC name of N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-naphthalen-1-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 70893111) is N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-naphthalen-1-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.
What is the SMILES notation for N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-naphthalen-1-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The canonical SMILES for N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-naphthalen-1-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is CC1(C)c2ccccc2N2c3ccc(N(c4ccc(F)cc4)c4cccc5ccccc45)cc3C(C)(C)c3cccc1c32.
What is the InChIKey of N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-naphthalen-1-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The InChIKey is GJDASWRKLSDBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33FN2/c1-39(2)31-14-7-8-17-36(31)43-37-24-23-29(25-34(37)40(3,4)33-16-10-15-32(39)38(33)43)42(28-21-19-27(41)20-22-28)35-18-9-12-26-11-5-6-13-30(26)35/h5-25H,1-4H3.
What are the key properties of N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-naphthalen-1-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-naphthalen-1-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 560.72 g/mol, XLogP of 11.20, 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-tetramethyl-N-naphthalen-1-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 70893111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).