10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole

C50H28N2O — CID 155474299

IUPAC10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc2c(c1)-c1cccc3c(-c4cc(-c5ccc6ccc7ccc8nc(-c9ccc%10ncccc%10c9)oc8c7c6c5)cc5ccccc45)ccc-2c13
InChIInChI=1S/C50H28N2O/c1-2-9-36-32(7-1)25-35(28-44(36)39-20-21-42-38-11-4-3-10-37(38)40-12-5-13-41(39)48(40)42)31-17-15-29-14-16-30-18-23-46-49(47(30)43(29)27-31)53-50(52-46)34-19-22-45-33(26-34)8-6-24-51-45/h1-28H
InChIKeyZRBBIXVYYSJSEE-UHFFFAOYSA-N
MW672.79 g/mol
LogP13.64
Rot. Bonds3

About 10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole

10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole (PubChem CID 155474299) has the molecular formula C50H28N2O and a molecular weight of 672.79 g/mol. Its IUPAC name is 10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole
PubChem CID155474299
Molecular FormulaC50H28N2O
Molecular Weight672.79 g/mol
Exact Mass672.22
IUPAC Name10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc2c(c1)-c1cccc3c(-c4cc(-c5ccc6ccc7ccc8nc(-c9ccc%10ncccc%10c9)oc8c7c6c5)cc5ccccc45)ccc-2c13
InChIInChI=1S/C50H28N2O/c1-2-9-36-32(7-1)25-35(28-44(36)39-20-21-42-38-11-4-3-10-37(38)40-12-5-13-41(39)48(40)42)31-17-15-29-14-16-30-18-23-46-49(47(30)43(29)27-31)53-50(52-46)34-19-22-45-33(26-34)8-6-24-51-45/h1-28H
InChIKeyZRBBIXVYYSJSEE-UHFFFAOYSA-N
XLogP13.64
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.79
LogP ≤ 513.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(3-phenanthren-9-ylphenyl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole
CID 153302153
10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole
CID 160824894
2-phenyl-10-[2-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[3-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole
CID 161086065
N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline
CID 171410300
9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 164840439
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 164840414
6-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]quinoline
CID 167411285
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-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158718429
5-naphthalen-2-yl-18-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177086231
18-[4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-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 176631539
10-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole
CID 153302163

Frequently Asked Questions

What is the IUPAC name of 10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole (CID 155474299) is 10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole is c1ccc2c(c1)-c1cccc3c(-c4cc(-c5ccc6ccc7ccc8nc(-c9ccc%10ncccc%10c9)oc8c7c6c5)cc5ccccc45)ccc-2c13.
What is the InChIKey of 10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole?
The InChIKey is ZRBBIXVYYSJSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N2O/c1-2-9-36-32(7-1)25-35(28-44(36)39-20-21-42-38-11-4-3-10-37(38)40-12-5-13-41(39)48(40)42)31-17-15-29-14-16-30-18-23-46-49(47(30)43(29)27-31)53-50(52-46)34-19-22-45-33(26-34)8-6-24-51-45/h1-28H.
What are the key properties of 10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole?
10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole has a molecular weight of 672.79 g/mol, XLogP of 13.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 155474299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).