N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)-9-phenylcarbazol-3-amine

C40H25FN2O — CID 121357307

IUPACN-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)-9-phenylcarbazol-3-amine
SMILESFc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c4c(cccc24)Oc2ccccc2-3)cc1
InChIInChI=1S/C40H25FN2O/c41-26-17-19-28(20-18-26)42(36-24-22-32-31-12-5-7-15-38(31)44-39-16-8-13-33(36)40(32)39)29-21-23-37-34(25-29)30-11-4-6-14-35(30)43(37)27-9-2-1-3-10-27/h1-25H
InChIKeyHGAAQVSJRCHGOP-UHFFFAOYSA-N
MW568.65 g/mol
LogP11.32
Rot. Bonds4

About N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)-9-phenylcarbazol-3-amine

N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)-9-phenylcarbazol-3-amine (PubChem CID 121357307) has the molecular formula C40H25FN2O and a molecular weight of 568.65 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)-9-phenylcarbazol-3-amine
PubChem CID121357307
Molecular FormulaC40H25FN2O
Molecular Weight568.65 g/mol
Exact Mass568.20
IUPAC NameN-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)-9-phenylcarbazol-3-amine
SMILESFc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c4c(cccc24)Oc2ccccc2-3)cc1
InChIInChI=1S/C40H25FN2O/c41-26-17-19-28(20-18-26)42(36-24-22-32-31-12-5-7-15-38(31)44-39-16-8-13-33(36)40(32)39)29-21-23-37-34(25-29)30-11-4-6-14-35(30)43(37)27-9-2-1-3-10-27/h1-25H
InChIKeyHGAAQVSJRCHGOP-UHFFFAOYSA-N
XLogP11.32
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.65
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)-9-phenylcarbazol-3-amine with MolForge

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Related Compounds

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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(17),2,4,6,9,11,13,15-octaen-14-yl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)-9-phenylcarbazol-3-amine (CID 121357307) is N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)-9-phenylcarbazol-3-amine is Fc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c4c(cccc24)Oc2ccccc2-3)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)-9-phenylcarbazol-3-amine?
The InChIKey is HGAAQVSJRCHGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25FN2O/c41-26-17-19-28(20-18-26)42(36-24-22-32-31-12-5-7-15-38(31)44-39-16-8-13-33(36)40(32)39)29-21-23-37-34(25-29)30-11-4-6-14-35(30)43(37)27-9-2-1-3-10-27/h1-25H.
What are the key properties of N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)-9-phenylcarbazol-3-amine?
N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)-9-phenylcarbazol-3-amine has a molecular weight of 568.65 g/mol, XLogP of 11.32, 4 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(17),2,4,6,9,11,13,15-octaen-14-yl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 121357307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).