5,12-bis(4-fluorophenyl)-6-(4-methoxyphenyl)-11-phenyltetracene

C43H28F2O — CID 102311456

IUPAC5,12-bis(4-fluorophenyl)-6-(4-methoxyphenyl)-11-phenyltetracene
SMILESCOc1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccc(F)cc4)c4ccccc4c(-c4ccc(F)cc4)c23)cc1
InChIInChI=1S/C43H28F2O/c1-46-33-25-19-30(20-26-33)41-35-12-6-5-11-34(35)38(27-9-3-2-4-10-27)42-39(28-15-21-31(44)22-16-28)36-13-7-8-14-37(36)40(43(41)42)29-17-23-32(45)24-18-29/h2-26H,1H3
InChIKeyZGRUUCPTJBCMRX-UHFFFAOYSA-N
MW598.69 g/mol
LogP12.10
Rot. Bonds5

About 5,12-bis(4-fluorophenyl)-6-(4-methoxyphenyl)-11-phenyltetracene

5,12-bis(4-fluorophenyl)-6-(4-methoxyphenyl)-11-phenyltetracene (PubChem CID 102311456) has the molecular formula C43H28F2O and a molecular weight of 598.69 g/mol. Its IUPAC name is 5,12-bis(4-fluorophenyl)-6-(4-methoxyphenyl)-11-phenyltetracene.

Molecular Properties

Compound Name5,12-bis(4-fluorophenyl)-6-(4-methoxyphenyl)-11-phenyltetracene
PubChem CID102311456
Molecular FormulaC43H28F2O
Molecular Weight598.69 g/mol
Exact Mass598.21
IUPAC Name5,12-bis(4-fluorophenyl)-6-(4-methoxyphenyl)-11-phenyltetracene
SMILESCOc1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccc(F)cc4)c4ccccc4c(-c4ccc(F)cc4)c23)cc1
InChIInChI=1S/C43H28F2O/c1-46-33-25-19-30(20-26-33)41-35-12-6-5-11-34(35)38(27-9-3-2-4-10-27)42-39(28-15-21-31(44)22-16-28)36-13-7-8-14-37(36)40(43(41)42)29-17-23-32(45)24-18-29/h2-26H,1H3
InChIKeyZGRUUCPTJBCMRX-UHFFFAOYSA-N
XLogP12.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.69
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
1-Methoxyphenanthrene
CID 43547
Multicaulin
CID 467782
Cpgu 3OT
CID 20736014
4-(Difluoro(3,4,5-trifluorophenoxy)methyl)-2',3,5-trifluoro-4''-propyl-1,1':4',1''-terphenyl
CID 59856380
2-Methoxy-1-[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 96091
AR-D38 2,7-Dimethoxyphenanthrene
CID 299494
2,8-Dimethylnaphtho[3,2,1-kl]xanthene
CID 5052385
3H-Naphtho[2,1-b]pyran, 3,3-diphenyl-
CID 3104870
1-Methoxy-4,7-dimethyl-2-propan-2-ylnaphthalene
CID 85866488
Isoplagiochin D Tetramethyl Ether
CID 11225392
9-Methoxyanthracene
CID 16965

Frequently Asked Questions

What is the IUPAC name of 5,12-bis(4-fluorophenyl)-6-(4-methoxyphenyl)-11-phenyltetracene?
The IUPAC name of 5,12-bis(4-fluorophenyl)-6-(4-methoxyphenyl)-11-phenyltetracene (CID 102311456) is 5,12-bis(4-fluorophenyl)-6-(4-methoxyphenyl)-11-phenyltetracene.
What is the SMILES notation for 5,12-bis(4-fluorophenyl)-6-(4-methoxyphenyl)-11-phenyltetracene?
The canonical SMILES for 5,12-bis(4-fluorophenyl)-6-(4-methoxyphenyl)-11-phenyltetracene is COc1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccc(F)cc4)c4ccccc4c(-c4ccc(F)cc4)c23)cc1.
What is the InChIKey of 5,12-bis(4-fluorophenyl)-6-(4-methoxyphenyl)-11-phenyltetracene?
The InChIKey is ZGRUUCPTJBCMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28F2O/c1-46-33-25-19-30(20-26-33)41-35-12-6-5-11-34(35)38(27-9-3-2-4-10-27)42-39(28-15-21-31(44)22-16-28)36-13-7-8-14-37(36)40(43(41)42)29-17-23-32(45)24-18-29/h2-26H,1H3.
What are the key properties of 5,12-bis(4-fluorophenyl)-6-(4-methoxyphenyl)-11-phenyltetracene?
5,12-bis(4-fluorophenyl)-6-(4-methoxyphenyl)-11-phenyltetracene has a molecular weight of 598.69 g/mol, XLogP of 12.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis(4-fluorophenyl)-6-(4-methoxyphenyl)-11-phenyltetracene is sourced from PubChem (CID 102311456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).