9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine

C44H27FN2O — CID 121357317

IUPAC9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)Oc4cccc6cccc-5c46)c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C44H27FN2O/c45-30-18-20-31(21-19-30)47-40-15-4-3-13-35(40)38-26-32(23-25-41(38)47)46(39-16-6-9-28-8-1-2-12-34(28)39)33-22-24-36-37-14-5-10-29-11-7-17-42(44(29)37)48-43(36)27-33/h1-27H
InChIKeyQBBPQEAJHPJYRA-UHFFFAOYSA-N
MW618.71 g/mol
LogP12.47
Rot. Bonds4

About 9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine

9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine (PubChem CID 121357317) has the molecular formula C44H27FN2O and a molecular weight of 618.71 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine.

Molecular Properties

Compound Name9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine
PubChem CID121357317
Molecular FormulaC44H27FN2O
Molecular Weight618.71 g/mol
Exact Mass618.21
IUPAC Name9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)Oc4cccc6cccc-5c46)c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C44H27FN2O/c45-30-18-20-31(21-19-30)47-40-15-4-3-13-35(40)38-26-32(23-25-41(38)47)46(39-16-6-9-28-8-1-2-12-34(28)39)33-22-24-36-37-14-5-10-29-11-7-17-42(44(29)37)48-43(36)27-33/h1-27H
InChIKeyQBBPQEAJHPJYRA-UHFFFAOYSA-N
XLogP12.47
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.71
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine?
The IUPAC name of 9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine (CID 121357317) is 9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine.
What is the SMILES notation for 9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine?
The canonical SMILES for 9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)Oc4cccc6cccc-5c46)c4cccc5ccccc45)ccc32)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine?
The InChIKey is QBBPQEAJHPJYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27FN2O/c45-30-18-20-31(21-19-30)47-40-15-4-3-13-35(40)38-26-32(23-25-41(38)47)46(39-16-6-9-28-8-1-2-12-34(28)39)33-22-24-36-37-14-5-10-29-11-7-17-42(44(29)37)48-43(36)27-33/h1-27H.
What are the key properties of 9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine?
9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine has a molecular weight of 618.71 g/mol, XLogP of 12.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine is sourced from PubChem (CID 121357317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).