2-phenyl-9-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole

C53H32N2O — CID 164840428

IUPAC2-phenyl-9-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4ccc5cc(-c6c7ccccc7c(-c7cccc8c7c7ccccc7n8-c7ccccc7)c7ccccc67)ccc5c4c3o2)cc1
InChIInChI=1S/C53H32N2O/c1-3-14-34(15-4-1)53-54-45-31-29-33-26-27-35-32-36(28-30-38(35)49(33)52(45)56-53)48-39-18-7-9-20-41(39)50(42-21-10-8-19-40(42)48)44-23-13-25-47-51(44)43-22-11-12-24-46(43)55(47)37-16-5-2-6-17-37/h1-32H
InChIKeyZPIXXMHOTPKYNV-UHFFFAOYSA-N
MW712.85 g/mol
LogP14.54
Rot. Bonds4

About 2-phenyl-9-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole

2-phenyl-9-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole (PubChem CID 164840428) has the molecular formula C53H32N2O and a molecular weight of 712.85 g/mol. Its IUPAC name is 2-phenyl-9-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-phenyl-9-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
PubChem CID164840428
Molecular FormulaC53H32N2O
Molecular Weight712.85 g/mol
Exact Mass712.25
IUPAC Name2-phenyl-9-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4ccc5cc(-c6c7ccccc7c(-c7cccc8c7c7ccccc7n8-c7ccccc7)c7ccccc67)ccc5c4c3o2)cc1
InChIInChI=1S/C53H32N2O/c1-3-14-34(15-4-1)53-54-45-31-29-33-26-27-35-32-36(28-30-38(35)49(33)52(45)56-53)48-39-18-7-9-20-41(39)50(42-21-10-8-19-40(42)48)44-23-13-25-47-51(44)43-22-11-12-24-46(43)55(47)37-16-5-2-6-17-37/h1-32H
InChIKeyZPIXXMHOTPKYNV-UHFFFAOYSA-N
XLogP14.54
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.85
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-10-[4-(9-phenylcarbazol-1-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164840362
2-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164840376
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 164840414
9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 164840439
18-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631266
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164955263
2-phenyl-9-[10-(2-phenylquinolin-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164840399
9-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole
CID 135253542
2-phenyl-7-[4-[3-[3-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 170681673
2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164758486
18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene
CID 176647004
2-phenyl-10-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164840444

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 2-phenyl-9-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole (CID 164840428) is 2-phenyl-9-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 2-phenyl-9-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 2-phenyl-9-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole is c1ccc(-c2nc3ccc4ccc5cc(-c6c7ccccc7c(-c7cccc8c7c7ccccc7n8-c7ccccc7)c7ccccc67)ccc5c4c3o2)cc1.
What is the InChIKey of 2-phenyl-9-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole?
The InChIKey is ZPIXXMHOTPKYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O/c1-3-14-34(15-4-1)53-54-45-31-29-33-26-27-35-32-36(28-30-38(35)49(33)52(45)56-53)48-39-18-7-9-20-41(39)50(42-21-10-8-19-40(42)48)44-23-13-25-47-51(44)43-22-11-12-24-46(43)55(47)37-16-5-2-6-17-37/h1-32H.
What are the key properties of 2-phenyl-9-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole?
2-phenyl-9-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole has a molecular weight of 712.85 g/mol, XLogP of 14.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 164840428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).