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

C52H34N2O — CID 168809217

IUPACN-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5ccccc45)c3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-2-14-35(15-3-1)36-28-30-39(31-29-36)53(50-26-13-23-46-45-22-8-11-27-51(45)55-52(46)50)40-18-12-17-38(32-40)47-34-41(33-37-16-4-5-19-42(37)47)54-48-24-9-6-20-43(48)44-21-7-10-25-49(44)54/h1-34H
InChIKeyURJRRPJGWSDWFH-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

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

N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 168809217) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID168809217
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5ccccc45)c3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-2-14-35(15-3-1)36-28-30-39(31-29-36)53(50-26-13-23-46-45-22-8-11-27-51(45)55-52(46)50)40-18-12-17-38(32-40)47-34-41(33-37-16-4-5-19-42(37)47)54-48-24-9-6-20-43(48)44-21-7-10-25-49(44)54/h1-34H
InChIKeyURJRRPJGWSDWFH-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

3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 168809207
N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 166031741
bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 165016258
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine
CID 58510678
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 168809283
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 167322241
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-yl-5-phenylphenyl)dibenzofuran-4-amine
CID 121329721
N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402344
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine
CID 168809159
2-carbazol-9-yl-N-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 156521402
N,N-bis(3-carbazol-9-ylphenyl)-1-naphthalen-1-ylnaphthalen-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)-1-naphthalen-1-ylnaphthalen-2-amine;N-dibenzofuran-4-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine;1-naphthalen-1-yl-N,N-bis[3-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 165065640
N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine
CID 166032307

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 168809217) is N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5ccccc45)c3)c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is URJRRPJGWSDWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-2-14-35(15-3-1)36-28-30-39(31-29-36)53(50-26-13-23-46-45-22-8-11-27-51(45)55-52(46)50)40-18-12-17-38(32-40)47-34-41(33-37-16-4-5-19-42(37)47)54-48-24-9-6-20-43(48)44-21-7-10-25-49(44)54/h1-34H.
What are the key properties of N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-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-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 168809217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).