N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline

C68H44N2O — CID 167234272

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C68H44N2O/c1-2-18-45(19-3-1)54-41-38-49(61-43-48-20-4-5-23-52(48)56-25-6-7-26-57(56)61)44-65(54)69(51-22-16-21-47(42-51)55-30-17-35-67-68(55)60-29-11-15-34-66(60)71-67)50-39-36-46(37-40-50)53-24-8-12-31-62(53)70-63-32-13-9-27-58(63)59-28-10-14-33-64(59)70/h1-44H
InChIKeyXIJHSFDNFLWYTE-UHFFFAOYSA-N
MW905.11 g/mol
LogP19.13
Rot. Bonds8

About N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline (PubChem CID 167234272) has the molecular formula C68H44N2O and a molecular weight of 905.11 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline
PubChem CID167234272
Molecular FormulaC68H44N2O
Molecular Weight905.11 g/mol
Exact Mass904.35
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C68H44N2O/c1-2-18-45(19-3-1)54-41-38-49(61-43-48-20-4-5-23-52(48)56-25-6-7-26-57(56)61)44-65(54)69(51-22-16-21-47(42-51)55-30-17-35-67-68(55)60-29-11-15-34-66(60)71-67)50-39-36-46(37-40-50)53-24-8-12-31-62(53)70-63-32-13-9-27-58(63)59-28-10-14-33-64(59)70/h1-44H
InChIKeyXIJHSFDNFLWYTE-UHFFFAOYSA-N
XLogP19.13
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.11
LogP ≤ 519.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
CID 167235820
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine
CID 155398236
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155398702
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline
CID 167234152
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 176609411
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649338
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 153314732
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
CID 167235443
N-[4-[2-[2-[5-[4-[4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]naphthalen-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 155398691
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 155398217
N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline
CID 167234687
4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176608684

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline (CID 167234272) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline is c1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4oc5ccccc5c34)c2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline?
The InChIKey is XIJHSFDNFLWYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2O/c1-2-18-45(19-3-1)54-41-38-49(61-43-48-20-4-5-23-52(48)56-25-6-7-26-57(56)61)44-65(54)69(51-22-16-21-47(42-51)55-30-17-35-67-68(55)60-29-11-15-34-66(60)71-67)50-39-36-46(37-40-50)53-24-8-12-31-62(53)70-63-32-13-9-27-58(63)59-28-10-14-33-64(59)70/h1-44H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline has a molecular weight of 905.11 g/mol, XLogP of 19.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline is sourced from PubChem (CID 167234272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).