N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-1-amine

C48H30F2N2O — CID 138716838

IUPACN-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-1-amine
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(F)cc4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C48H30F2N2O/c49-35-19-12-31(13-20-35)32-14-23-37(24-15-32)51(45-9-5-11-47-48(45)41-7-2-4-10-46(41)53-47)38-25-16-33(17-26-38)34-18-29-44-42(30-34)40-6-1-3-8-43(40)52(44)39-27-21-36(50)22-28-39/h1-30H
InChIKeyMVCYGPGDWZWIND-UHFFFAOYSA-N
MW688.78 g/mol
LogP13.77
Rot. Bonds6

About N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-1-amine

N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-1-amine (PubChem CID 138716838) has the molecular formula C48H30F2N2O and a molecular weight of 688.78 g/mol. Its IUPAC name is N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-1-amine
PubChem CID138716838
Molecular FormulaC48H30F2N2O
Molecular Weight688.78 g/mol
Exact Mass688.23
IUPAC NameN-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-1-amine
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(F)cc4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C48H30F2N2O/c49-35-19-12-31(13-20-35)32-14-23-37(24-15-32)51(45-9-5-11-47-48(45)41-7-2-4-10-46(41)53-47)38-25-16-33(17-26-38)34-18-29-44-42(30-34)40-6-1-3-8-43(40)52(44)39-27-21-36(50)22-28-39/h1-30H
InChIKeyMVCYGPGDWZWIND-UHFFFAOYSA-N
XLogP13.77
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.78
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-1-amine (CID 138716838) is N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-1-amine is Fc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(F)cc4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is MVCYGPGDWZWIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30F2N2O/c49-35-19-12-31(13-20-35)32-14-23-37(24-15-32)51(45-9-5-11-47-48(45)41-7-2-4-10-46(41)53-47)38-25-16-33(17-26-38)34-18-29-44-42(30-34)40-6-1-3-8-43(40)52(44)39-27-21-36(50)22-28-39/h1-30H.
What are the key properties of N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-1-amine?
N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 688.78 g/mol, XLogP of 13.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 138716838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).