N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine

C48H30N2O2 — CID 118462597

IUPACN-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine
SMILESc1ccc(N(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)oc3ccccc34)c2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C48H30N2O2/c1-2-12-33(13-3-1)49(35-22-24-40-38-16-5-8-19-45(38)51-47(40)29-35)34-14-10-11-31(27-34)32-21-26-44-42(28-32)37-15-4-7-18-43(37)50(44)36-23-25-41-39-17-6-9-20-46(39)52-48(41)30-36/h1-30H
InChIKeyHIOZUKCXQZEFHB-UHFFFAOYSA-N
MW666.78 g/mol
LogP13.72
Rot. Bonds5

About N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine

N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine (PubChem CID 118462597) has the molecular formula C48H30N2O2 and a molecular weight of 666.78 g/mol. Its IUPAC name is N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine
PubChem CID118462597
Molecular FormulaC48H30N2O2
Molecular Weight666.78 g/mol
Exact Mass666.23
IUPAC NameN-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine
SMILESc1ccc(N(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)oc3ccccc34)c2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C48H30N2O2/c1-2-12-33(13-3-1)49(35-22-24-40-38-16-5-8-19-45(38)51-47(40)29-35)34-14-10-11-31(27-34)32-21-26-44-42(28-32)37-15-4-7-18-43(37)50(44)36-23-25-41-39-17-6-9-20-46(39)52-48(41)30-36/h1-30H
InChIKeyHIOZUKCXQZEFHB-UHFFFAOYSA-N
XLogP13.72
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.78
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825
3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline
CID 121443664
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 147399536
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153012599
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline
CID 153315131
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582

Frequently Asked Questions

What is the IUPAC name of N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine?
The IUPAC name of N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine (CID 118462597) is N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine is c1ccc(N(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)oc3ccccc34)c2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine?
The InChIKey is HIOZUKCXQZEFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O2/c1-2-12-33(13-3-1)49(35-22-24-40-38-16-5-8-19-45(38)51-47(40)29-35)34-14-10-11-31(27-34)32-21-26-44-42(28-32)37-15-4-7-18-43(37)50(44)36-23-25-41-39-17-6-9-20-46(39)52-48(41)30-36/h1-30H.
What are the key properties of N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine?
N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine has a molecular weight of 666.78 g/mol, XLogP of 13.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 118462597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).