N-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine

C48H30FN3O — CID 138549038

IUPACN-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine
SMILESFc1cccc(-n2c3ccccc3c3ccc(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc5c4oc4ccccc45)cc32)c1
InChIInChI=1S/C48H30FN3O/c49-31-12-10-15-33(28-31)52-43-21-8-5-17-37(43)39-27-25-35(30-46(39)52)50(44-22-11-19-41-40-18-6-9-23-47(40)53-48(41)44)34-24-26-38-36-16-4-7-20-42(36)51(45(38)29-34)32-13-2-1-3-14-32/h1-30H
InChIKeySMUTURWFXKLRAE-UHFFFAOYSA-N
MW683.79 g/mol
LogP13.39
Rot. Bonds5

About N-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine

N-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine (PubChem CID 138549038) has the molecular formula C48H30FN3O and a molecular weight of 683.79 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine
PubChem CID138549038
Molecular FormulaC48H30FN3O
Molecular Weight683.79 g/mol
Exact Mass683.24
IUPAC NameN-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine
SMILESFc1cccc(-n2c3ccccc3c3ccc(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc5c4oc4ccccc45)cc32)c1
InChIInChI=1S/C48H30FN3O/c49-31-12-10-15-33(28-31)52-43-21-8-5-17-37(43)39-27-25-35(30-46(39)52)50(44-22-11-19-41-40-18-6-9-23-47(40)53-48(41)44)34-24-26-38-36-16-4-7-20-42(36)51(45(38)29-34)32-13-2-1-3-14-32/h1-30H
InChIKeySMUTURWFXKLRAE-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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Related Compounds

N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814340
N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033858
N-dibenzofuran-2-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine
CID 138548961
N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170138972
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-dinaphthalen-2-yl-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163652671
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine
CID 58510678
N-dibenzofuran-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814779
N-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine
CID 138548951
N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 168814711
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124467
1-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[2,3-b][1]benzofuran-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[2,3-b][1]benzofuran-3-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[2,3-b][1]benzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine
CID 165100734
N-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine
CID 163896520

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine (CID 138549038) is N-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine is Fc1cccc(-n2c3ccccc3c3ccc(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc5c4oc4ccccc45)cc32)c1.
What is the InChIKey of N-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine?
The InChIKey is SMUTURWFXKLRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30FN3O/c49-31-12-10-15-33(28-31)52-43-21-8-5-17-37(43)39-27-25-35(30-46(39)52)50(44-22-11-19-41-40-18-6-9-23-47(40)53-48(41)44)34-24-26-38-36-16-4-7-20-42(36)51(45(38)29-34)32-13-2-1-3-14-32/h1-30H.
What are the key properties of N-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine?
N-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-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-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine is sourced from PubChem (CID 138549038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).