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

C48H30FN3O — CID 138548991

IUPACN-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine
SMILESFc1cccc(-n2c3ccccc3c3cccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4c4ccccc4n5-c4ccccc4)c32)c1
InChIInChI=1S/C48H30FN3O/c49-31-13-10-16-33(29-31)52-40-21-7-4-17-35(40)38-20-11-25-44(48(38)52)51(34-27-28-37-36-18-6-9-26-45(36)53-46(37)30-34)43-24-12-23-42-47(43)39-19-5-8-22-41(39)50(42)32-14-2-1-3-15-32/h1-30H
InChIKeyRXMSZOIXXNCPEZ-UHFFFAOYSA-N
MW683.79 g/mol
LogP13.39
Rot. Bonds5

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

N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine (PubChem CID 138548991) has the molecular formula C48H30FN3O and a molecular weight of 683.79 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine
PubChem CID138548991
Molecular FormulaC48H30FN3O
Molecular Weight683.79 g/mol
Exact Mass683.24
IUPAC NameN-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine
SMILESFc1cccc(-n2c3ccccc3c3cccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4c4ccccc4n5-c4ccccc4)c32)c1
InChIInChI=1S/C48H30FN3O/c49-31-13-10-16-33(29-31)52-40-21-7-4-17-35(40)38-20-11-25-44(48(38)52)51(34-27-28-37-36-18-6-9-26-45(36)53-46(37)30-34)43-24-12-23-42-47(43)39-19-5-8-22-41(39)50(42)32-14-2-1-3-15-32/h1-30H
InChIKeyRXMSZOIXXNCPEZ-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

3-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile
CID 129291104
3-(9-Fluoro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(6-fluoro-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile
CID 129291269
14-[5-(9-Oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-3-(trifluoromethyl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163647614
2,8-Di(9H-carbazol-9-yl)dibenzo[b,d]furan
CID 59348257
3-(9'h-[9,3':6',9''-Tercarbazol]-9'-yl)-9h-xanthen-9-one
CID 121337025
N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine
CID 129085125
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine
CID 129123770
9-Phenyl-2-[2-(9-phenylcarbazol-2-yl)dibenzofuran-4-yl]carbazole
CID 129127331
19-(3,5-Diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 129141836
2-N,7-N-bis(4-ethenylphenyl)-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-2,7-diamine
CID 129194522
10-Methyl-32-oxa-13,20-diazanonacyclo[18.10.1.12,6.13,30.07,12.014,19.021,26.027,31.013,33]tritriaconta-1(30),2,4,6(33),7(12),8,10,14,16,18,21,23,25,27(31),28-pentadecaene
CID 129276913
5-[4-([1]Benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile
CID 129290845

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine?
The IUPAC name of N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine (CID 138548991) is N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine?
The canonical SMILES for N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine is Fc1cccc(-n2c3ccccc3c3cccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4c4ccccc4n5-c4ccccc4)c32)c1.
What is the InChIKey of N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine?
The InChIKey is RXMSZOIXXNCPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30FN3O/c49-31-13-10-16-33(29-31)52-40-21-7-4-17-35(40)38-20-11-25-44(48(38)52)51(34-27-28-37-36-18-6-9-26-45(36)53-46(37)30-34)43-24-12-23-42-47(43)39-19-5-8-22-41(39)50(42)32-14-2-1-3-15-32/h1-30H.
What are the key properties of N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine?
N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-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-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-1-amine is sourced from PubChem (CID 138548991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).