N-(4-fluorophenyl)-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)-9-(4-phenylphenyl)carbazol-2-amine

C46H29FN2O — CID 121357348

IUPACN-(4-fluorophenyl)-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)-9-(4-phenylphenyl)carbazol-2-amine
SMILESFc1ccc(N(c2ccc3c(c2)Oc2cccc4cccc-3c24)c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c3c2)cc1
InChIInChI=1S/C46H29FN2O/c47-33-18-22-34(23-19-33)48(37-25-27-40-41-13-6-10-32-11-7-15-44(46(32)41)50-45(40)29-37)36-24-26-39-38-12-4-5-14-42(38)49(43(39)28-36)35-20-16-31(17-21-35)30-8-2-1-3-9-30/h1-29H
InChIKeyZIUKXJPJQTTYCN-UHFFFAOYSA-N
MW644.75 g/mol
LogP12.99
Rot. Bonds5

About N-(4-fluorophenyl)-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)-9-(4-phenylphenyl)carbazol-2-amine

N-(4-fluorophenyl)-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)-9-(4-phenylphenyl)carbazol-2-amine (PubChem CID 121357348) has the molecular formula C46H29FN2O and a molecular weight of 644.75 g/mol. Its IUPAC name is N-(4-fluorophenyl)-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)-9-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-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)-9-(4-phenylphenyl)carbazol-2-amine
PubChem CID121357348
Molecular FormulaC46H29FN2O
Molecular Weight644.75 g/mol
Exact Mass644.23
IUPAC NameN-(4-fluorophenyl)-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)-9-(4-phenylphenyl)carbazol-2-amine
SMILESFc1ccc(N(c2ccc3c(c2)Oc2cccc4cccc-3c24)c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c3c2)cc1
InChIInChI=1S/C46H29FN2O/c47-33-18-22-34(23-19-33)48(37-25-27-40-41-13-6-10-32-11-7-15-44(46(32)41)50-45(40)29-37)36-24-26-39-38-12-4-5-14-42(38)49(43(39)28-36)35-20-16-31(17-21-35)30-8-2-1-3-9-30/h1-29H
InChIKeyZIUKXJPJQTTYCN-UHFFFAOYSA-N
XLogP12.99
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.75
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-fluorophenyl)-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)-9-(4-phenylphenyl)carbazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-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)-9-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-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)-9-(4-phenylphenyl)carbazol-2-amine (CID 121357348) is N-(4-fluorophenyl)-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)-9-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-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)-9-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-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)-9-(4-phenylphenyl)carbazol-2-amine is Fc1ccc(N(c2ccc3c(c2)Oc2cccc4cccc-3c24)c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c3c2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-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)-9-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is ZIUKXJPJQTTYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29FN2O/c47-33-18-22-34(23-19-33)48(37-25-27-40-41-13-6-10-32-11-7-15-44(46(32)41)50-45(40)29-37)36-24-26-39-38-12-4-5-14-42(38)49(43(39)28-36)35-20-16-31(17-21-35)30-8-2-1-3-9-30/h1-29H.
What are the key properties of N-(4-fluorophenyl)-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)-9-(4-phenylphenyl)carbazol-2-amine?
N-(4-fluorophenyl)-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)-9-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 644.75 g/mol, XLogP of 12.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-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)-9-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 121357348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).