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

C52H33FN2O — CID 121357406

IUPAC9-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)Oc5cccc7cccc-6c57)cc4)ccc32)cc1
InChIInChI=1S/C52H33FN2O/c53-39-21-27-42(28-22-39)55-48-14-5-4-12-44(48)47-33-43(29-31-49(47)55)54(40-23-16-35(17-24-40)34-8-2-1-3-9-34)41-25-18-36(19-26-41)38-20-30-45-46-13-6-10-37-11-7-15-50(52(37)46)56-51(45)32-38/h1-33H
InChIKeyQKJWNQNJEMQPJM-UHFFFAOYSA-N
MW720.85 g/mol
LogP14.65
Rot. Bonds6

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

9-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 121357406) has the molecular formula C52H33FN2O and a molecular weight of 720.85 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name9-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID121357406
Molecular FormulaC52H33FN2O
Molecular Weight720.85 g/mol
Exact Mass720.26
IUPAC Name9-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)Oc5cccc7cccc-6c57)cc4)ccc32)cc1
InChIInChI=1S/C52H33FN2O/c53-39-21-27-42(28-22-39)55-48-14-5-4-12-44(48)47-33-43(29-31-49(47)55)54(40-23-16-35(17-24-40)34-8-2-1-3-9-34)41-25-18-36(19-26-41)38-20-30-45-46-13-6-10-37-11-7-15-50(52(37)46)56-51(45)32-38/h1-33H
InChIKeyQKJWNQNJEMQPJM-UHFFFAOYSA-N
XLogP14.65
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.85
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of 9-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine (CID 121357406) is 9-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for 9-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for 9-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)Oc5cccc7cccc-6c57)cc4)ccc32)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is QKJWNQNJEMQPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33FN2O/c53-39-21-27-42(28-22-39)55-48-14-5-4-12-44(48)47-33-43(29-31-49(47)55)54(40-23-16-35(17-24-40)34-8-2-1-3-9-34)41-25-18-36(19-26-41)38-20-30-45-46-13-6-10-37-11-7-15-50(52(37)46)56-51(45)32-38/h1-33H.
What are the key properties of 9-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
9-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 720.85 g/mol, XLogP of 14.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 121357406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).