N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)phenanthren-2-amine

C64H41N3O — CID 153475756

IUPACN-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccc4c(ccc5cc(-c6cccc7oc8c(-c9ccccc9)c9ccccc9n8c67)ccc54)c3)cc2)cc1
InChIInChI=1S/C64H41N3O/c1-3-15-42(16-4-1)43-31-34-48(35-32-43)65(49-19-13-20-50(41-49)66-58-25-10-7-21-55(58)56-22-8-11-26-59(56)66)51-36-38-53-47(40-51)30-29-45-39-46(33-37-52(45)53)54-24-14-28-61-63(54)67-60-27-12-9-23-57(60)62(64(67)68-61)44-17-5-2-6-18-44/h1-41H
InChIKeyFPNMQCISAJGIOG-UHFFFAOYSA-N
MW868.05 g/mol
LogP17.71
Rot. Bonds7

About N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)phenanthren-2-amine

N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)phenanthren-2-amine (PubChem CID 153475756) has the molecular formula C64H41N3O and a molecular weight of 868.05 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)phenanthren-2-amine
PubChem CID153475756
Molecular FormulaC64H41N3O
Molecular Weight868.05 g/mol
Exact Mass867.32
IUPAC NameN-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccc4c(ccc5cc(-c6cccc7oc8c(-c9ccccc9)c9ccccc9n8c67)ccc54)c3)cc2)cc1
InChIInChI=1S/C64H41N3O/c1-3-15-42(16-4-1)43-31-34-48(35-32-43)65(49-19-13-20-50(41-49)66-58-25-10-7-21-55(58)56-22-8-11-26-59(56)66)51-36-38-53-47(40-51)30-29-45-39-46(33-37-52(45)53)54-24-14-28-61-63(54)67-60-27-12-9-23-57(60)62(64(67)68-61)44-17-5-2-6-18-44/h1-41H
InChIKeyFPNMQCISAJGIOG-UHFFFAOYSA-N
XLogP17.71
TPSA25.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.05
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-carbazol-9-ylphenyl)phenyl]-7-dibenzofuran-1-yl-N-(4-phenylphenyl)phenanthren-2-amine
CID 155398710
N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 155649180
N-[4-(4-carbazol-9-ylphenyl)phenyl]-7-dibenzofuran-1-yl-N-(3-phenylphenyl)phenanthren-2-amine
CID 155398335
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155397942
N-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole
CID 165103492
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315073
4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline
CID 153475864
3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578515
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-phenanthren-2-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(4-phenylphenyl)aniline
CID 158530680
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 153314748
N-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-2-amine
CID 153315025

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)phenanthren-2-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)phenanthren-2-amine (CID 153475756) is N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)phenanthren-2-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)phenanthren-2-amine is c1ccc(-c2ccc(N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccc4c(ccc5cc(-c6cccc7oc8c(-c9ccccc9)c9ccccc9n8c67)ccc54)c3)cc2)cc1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)phenanthren-2-amine?
The InChIKey is FPNMQCISAJGIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3O/c1-3-15-42(16-4-1)43-31-34-48(35-32-43)65(49-19-13-20-50(41-49)66-58-25-10-7-21-55(58)56-22-8-11-26-59(56)66)51-36-38-53-47(40-51)30-29-45-39-46(33-37-52(45)53)54-24-14-28-61-63(54)67-60-27-12-9-23-57(60)62(64(67)68-61)44-17-5-2-6-18-44/h1-41H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)phenanthren-2-amine?
N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)phenanthren-2-amine has a molecular weight of 868.05 g/mol, XLogP of 17.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 153475756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).