N-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

C52H34N2O — CID 168809142

IUPACN-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4c(-n5c6ccccc6c6ccccc65)ccc5ccccc45)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-2-13-35(14-3-1)36-25-28-39(29-26-36)53(41-30-31-46-45-21-8-11-24-50(45)55-51(46)34-41)40-17-12-16-38(33-40)52-42-18-5-4-15-37(42)27-32-49(52)54-47-22-9-6-19-43(47)44-20-7-10-23-48(44)54/h1-34H
InChIKeyYYVBLBHLVPGGNO-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

About N-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

N-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 168809142) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID168809142
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4c(-n5c6ccccc6c6ccccc65)ccc5ccccc45)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-2-13-35(14-3-1)36-25-28-39(29-26-36)53(41-30-31-46-45-21-8-11-24-50(45)55-51(46)34-41)40-17-12-16-38(33-40)52-42-18-5-4-15-37(42)27-32-49(52)54-47-22-9-6-19-43(47)44-20-7-10-23-48(44)54/h1-34H
InChIKeyYYVBLBHLVPGGNO-UHFFFAOYSA-N
XLogP14.64
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 168809325
N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085104
N-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 121311213
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline
CID 153314590
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)dibenzofuran-3-amine
CID 167322658
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-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)phenanthren-2-amine
CID 153314772
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenanthren-2-ylaniline
CID 147669790
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-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 118462597
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzofuran-3-amine;N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 163939327

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 168809142) is N-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3cccc(-c4c(-n5c6ccccc6c6ccccc65)ccc5ccccc45)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is YYVBLBHLVPGGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-2-13-35(14-3-1)36-25-28-39(29-26-36)53(41-30-31-46-45-21-8-11-24-50(45)55-51(46)34-41)40-17-12-16-38(33-40)52-42-18-5-4-15-37(42)27-32-49(52)54-47-22-9-6-19-43(47)44-20-7-10-23-48(44)54/h1-34H.
What are the key properties of N-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 702.86 g/mol, XLogP of 14.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 168809142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).