N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine

C68H44N2O — CID 155398674

IUPACN-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C68H44N2O/c1-2-19-56-52(14-1)44-65(59-21-4-3-20-58(56)59)69(54-40-36-48(37-41-54)49-15-11-17-51(42-49)57-25-13-29-67-68(57)62-24-7-10-28-66(62)71-67)53-38-34-46(35-39-53)45-30-32-47(33-31-45)50-16-12-18-55(43-50)70-63-26-8-5-22-60(63)61-23-6-9-27-64(61)70/h1-44H
InChIKeyDTKRTXNBIUYIEZ-UHFFFAOYSA-N
MW905.11 g/mol
LogP19.13
Rot. Bonds8

About N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine (PubChem CID 155398674) has the molecular formula C68H44N2O and a molecular weight of 905.11 g/mol. Its IUPAC name is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine
PubChem CID155398674
Molecular FormulaC68H44N2O
Molecular Weight905.11 g/mol
Exact Mass904.35
IUPAC NameN-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C68H44N2O/c1-2-19-56-52(14-1)44-65(59-21-4-3-20-58(56)59)69(54-40-36-48(37-41-54)49-15-11-17-51(42-49)57-25-13-29-67-68(57)62-24-7-10-28-66(62)71-67)53-38-34-46(35-39-53)45-30-32-47(33-31-45)50-16-12-18-55(43-50)70-63-26-8-5-22-60(63)61-23-6-9-27-64(61)70/h1-44H
InChIKeyDTKRTXNBIUYIEZ-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-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline
CID 155649226
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 155398217
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 155398358
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 155398414
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 155398415
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine
CID 155398236
N-[4-(3-carbazol-9-ylphenyl)phenyl]-7-dibenzofuran-1-yl-N-(4-phenylphenyl)phenanthren-2-amine
CID 155398710
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline
CID 171764248
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline
CID 155398563
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-9-amine
CID 153314804
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 167234831
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenylphenyl)aniline
CID 155398540

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine?
The IUPAC name of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine (CID 155398674) is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine is c1cc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc(-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine?
The InChIKey is DTKRTXNBIUYIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2O/c1-2-19-56-52(14-1)44-65(59-21-4-3-20-58(56)59)69(54-40-36-48(37-41-54)49-15-11-17-51(42-49)57-25-13-29-67-68(57)62-24-7-10-28-66(62)71-67)53-38-34-46(35-39-53)45-30-32-47(33-31-45)50-16-12-18-55(43-50)70-63-26-8-5-22-60(63)61-23-6-9-27-64(61)70/h1-44H.
What are the key properties of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine?
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine 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-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 155398674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).