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

C48H30FN3O — CID 138549194

IUPACN-dibenzofuran-1-yl-N-[9-(3-fluorophenyl)carbazol-4-yl]-9-phenylcarbazol-4-amine
SMILESFc1cccc(-n2c3ccccc3c3c(N(c4cccc5oc6ccccc6c45)c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)c1
InChIInChI=1S/C48H30FN3O/c49-31-14-10-17-33(30-31)51-38-22-8-5-19-35(38)47-40(51)24-12-26-42(47)52(43-27-13-29-45-48(43)36-20-6-9-28-44(36)53-45)41-25-11-23-39-46(41)34-18-4-7-21-37(34)50(39)32-15-2-1-3-16-32/h1-30H
InChIKeyDNSPTMDDRFHNGD-UHFFFAOYSA-N
MW683.79 g/mol
LogP13.39
Rot. Bonds5

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

N-dibenzofuran-1-yl-N-[9-(3-fluorophenyl)carbazol-4-yl]-9-phenylcarbazol-4-amine (PubChem CID 138549194) has the molecular formula C48H30FN3O and a molecular weight of 683.79 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-[9-(3-fluorophenyl)carbazol-4-yl]-9-phenylcarbazol-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-[9-(3-fluorophenyl)carbazol-4-yl]-9-phenylcarbazol-4-amine
PubChem CID138549194
Molecular FormulaC48H30FN3O
Molecular Weight683.79 g/mol
Exact Mass683.24
IUPAC NameN-dibenzofuran-1-yl-N-[9-(3-fluorophenyl)carbazol-4-yl]-9-phenylcarbazol-4-amine
SMILESFc1cccc(-n2c3ccccc3c3c(N(c4cccc5oc6ccccc6c45)c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)c1
InChIInChI=1S/C48H30FN3O/c49-31-14-10-17-33(30-31)51-38-22-8-5-19-35(38)47-40(51)24-12-26-42(47)52(43-27-13-29-45-48(43)36-20-6-9-28-44(36)53-45)41-25-11-23-39-46(41)34-18-4-7-21-37(34)50(39)32-15-2-1-3-16-32/h1-30H
InChIKeyDNSPTMDDRFHNGD-UHFFFAOYSA-N
XLogP13.39
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.79
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-[9-(3-fluorophenyl)carbazol-4-yl]-9-phenylcarbazol-4-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-[9-(3-fluorophenyl)carbazol-4-yl]-9-phenylcarbazol-4-amine (CID 138549194) is N-dibenzofuran-1-yl-N-[9-(3-fluorophenyl)carbazol-4-yl]-9-phenylcarbazol-4-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-[9-(3-fluorophenyl)carbazol-4-yl]-9-phenylcarbazol-4-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-[9-(3-fluorophenyl)carbazol-4-yl]-9-phenylcarbazol-4-amine is Fc1cccc(-n2c3ccccc3c3c(N(c4cccc5oc6ccccc6c45)c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)c1.
What is the InChIKey of N-dibenzofuran-1-yl-N-[9-(3-fluorophenyl)carbazol-4-yl]-9-phenylcarbazol-4-amine?
The InChIKey is DNSPTMDDRFHNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30FN3O/c49-31-14-10-17-33(30-31)51-38-22-8-5-19-35(38)47-40(51)24-12-26-42(47)52(43-27-13-29-45-48(43)36-20-6-9-28-44(36)53-45)41-25-11-23-39-46(41)34-18-4-7-21-37(34)50(39)32-15-2-1-3-16-32/h1-30H.
What are the key properties of N-dibenzofuran-1-yl-N-[9-(3-fluorophenyl)carbazol-4-yl]-9-phenylcarbazol-4-amine?
N-dibenzofuran-1-yl-N-[9-(3-fluorophenyl)carbazol-4-yl]-9-phenylcarbazol-4-amine has a molecular weight of 683.79 g/mol, XLogP of 13.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-[9-(3-fluorophenyl)carbazol-4-yl]-9-phenylcarbazol-4-amine is sourced from PubChem (CID 138549194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).